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936233-06-6 | (R)-Isoquinoline-5-sulfonic acid piperidin-3-ylamide dihydrochloride
CAS No: 936233-06-6 Catalog No: AG00GUXU MDL No:MFCD09834600
Product Description
Catalog Number:
AG00GUXU
Chemical Name:
(R)-Isoquinoline-5-sulfonic acid piperidin-3-ylamide dihydrochloride
CAS Number:
936233-06-6
Molecular Formula:
C14H17N3O2S
Molecular Weight:
291.3687
MDL Number:
MFCD09834600
IUPAC Name:
N-[(3R)-piperidin-3-yl]isoquinoline-5-sulfonamide;dihydrochloride
InChI:
InChI=1S/C14H17N3O2S.2ClH/c18-20(19,17-12-4-2-7-15-10-12)14-5-1-3-11-9-16-8-6-13(11)14;;/h1,3,5-6,8-9,12,15,17H,2,4,7,10H2;2*1H/t12-;;/m1../s1
InChI Key:
XWDKHNICCZBYLN-CURYUGHLSA-N
SMILES:
O=S(=O)(c1cccc2c1ccnc2)N[C@@H]1CCCNC1
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
363.058g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
364.285g/mol
Monoisotopic Mass:
363.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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