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936233-09-9 | (S)-Isoquinoline-5-sulfonic acid (piperidin-3-ylmethyl)-amide dihydrochloride
CAS No: 936233-09-9 Catalog No: AG00GUY3 MDL No:MFCD09834604
Product Description
Catalog Number:
AG00GUY3
Chemical Name:
(S)-Isoquinoline-5-sulfonic acid (piperidin-3-ylmethyl)-amide dihydrochloride
CAS Number:
936233-09-9
Molecular Formula:
C15H19N3O2S
Molecular Weight:
305.3953
MDL Number:
MFCD09834604
IUPAC Name:
N-[[(3R)-piperidin-3-yl]methyl]isoquinoline-5-sulfonamide;dihydrochloride
InChI:
InChI=1S/C15H19N3O2S.2ClH/c19-21(20,18-10-12-3-2-7-16-9-12)15-5-1-4-13-11-17-8-6-14(13)15;;/h1,4-6,8,11-12,16,18H,2-3,7,9-10H2;2*1H/t12-;;/m1../s1
InChI Key:
ZSMZXQIJROHNNW-CURYUGHLSA-N
SMILES:
O=S(=O)(c1cccc2c1ccnc2)NC[C@@H]1CCCNC1
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
377.073g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
378.312g/mol
Monoisotopic Mass:
377.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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