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Home > Quinoline > 936233-07-7
936233-07-7 | (S)-Isoquinoline-5-sulfonic acid piperidin-3-ylamide dihydrochloride
CAS No: 936233-07-7 Catalog No: AG00GUYF MDL No:MFCD09834601
Product Description
Catalog Number:
AG00GUYF
Chemical Name:
(S)-Isoquinoline-5-sulfonic acid piperidin-3-ylamide dihydrochloride
CAS Number:
936233-07-7
Molecular Formula:
C14H17N3O2S
Molecular Weight:
291.3687
MDL Number:
MFCD09834601
IUPAC Name:
N-[(3S)-piperidin-3-yl]isoquinoline-5-sulfonamide
InChI:
InChI=1S/C14H17N3O2S/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/t12-/m0/s1
InChI Key:
UACRIYVXOGJYRG-LBPRGKRZSA-N
SMILES:
O=S(=O)(c1cccc2c1ccnc2)N[C@H]1CCCNC1
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
291.104g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.369g/mol
Monoisotopic Mass:
291.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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