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1422062-87-0 | (3aS,6aS)-N-(2-methylpropyl)-2-methylsulfonylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide
CAS No: 1422062-87-0 Catalog No: AG01DFQT MDL No:
Product Description
Catalog Number:
AG01DFQT
Chemical Name:
(3aS,6aS)-N-(2-methylpropyl)-2-methylsulfonylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide
CAS Number:
1422062-87-0
Molecular Formula:
C17H31N3O3S
Molecular Weight:
357.5113
IUPAC Name:
(3aS,6aS)-N-(2-methylpropyl)-2-methylsulfonylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide
InChI:
InChI=1S/C17H31N3O3S/c1-13(2)10-19-15(21)17-5-4-16(6-8-18-9-7-16)14(17)11-20(12-17)24(3,22)23/h13-14,18H,4-12H2,1-3H3,(H,19,21)/t14-,17+/m0/s1
InChI Key:
BLWZGCXTMVOFDO-WMLDXEAASA-N
SMILES:
CC(CNC(=O)[C@]12CCC3([C@@H]2CN(C1)S(=O)(=O)C)CCNCC3)C
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
357.209g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
357.513g/mol
Monoisotopic Mass:
357.209g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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