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Home > Other Heterocycles > 1422060-61-4
1422060-61-4 | ((3aS,6aS)-2-(methylsulfonyl)hexahydro-1H-spiro[cyclopenta[c]pyrrole-4,4'-piperidin]-6a-yl)(pyrrolidin-1-yl)methanone
CAS No: 1422060-61-4 Catalog No: AG01DFQ2 MDL No:
Product Description
Catalog Number:
AG01DFQ2
Chemical Name:
((3aS,6aS)-2-(methylsulfonyl)hexahydro-1H-spiro[cyclopenta[c]pyrrole-4,4'-piperidin]-6a-yl)(pyrrolidin-1-yl)methanone
CAS Number:
1422060-61-4
Molecular Formula:
C17H29N3O3S
Molecular Weight:
355.4955
IUPAC Name:
[(3aS,6aS)-2-methylsulfonylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-yl]-pyrrolidin-1-ylmethanone
InChI:
InChI=1S/C17H29N3O3S/c1-24(22,23)20-12-14-16(6-8-18-9-7-16)4-5-17(14,13-20)15(21)19-10-2-3-11-19/h14,18H,2-13H2,1H3/t14-,17+/m0/s1
InChI Key:
ZBAFVRQAQZJDEW-WMLDXEAASA-N
SMILES:
O=C([C@]12CCC3([C@@H]2CN(C1)S(=O)(=O)C)CCNCC3)N1CCCC1
Properties
Complexity:
618
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
355.193g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.497g/mol
Monoisotopic Mass:
355.193g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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