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1082315-88-5 | 7-(pyrrolidine-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline
CAS No: 1082315-88-5 Catalog No: AG01AJ5C MDL No:MFCD11580687
Product Description
Catalog Number:
AG01AJ5C
Chemical Name:
7-(pyrrolidine-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline
CAS Number:
1082315-88-5
Molecular Formula:
C13H18N2O2S
Molecular Weight:
266.3592
MDL Number:
MFCD11580687
IUPAC Name:
7-pyrrolidin-1-ylsulfonyl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C13H18N2O2S/c16-18(17,15-7-1-2-8-15)13-4-3-11-5-6-14-10-12(11)9-13/h3-4,9,14H,1-2,5-8,10H2
InChI Key:
BJIQCEWRMJYFAZ-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccc2c(c1)CNCC2)N1CCCC1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.109g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.359g/mol
Monoisotopic Mass:
266.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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