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Home > Quinoline > 936233-14-6
936233-14-6 | (R)-Isoquinoline-5-sulfonic acid pyrrolidin-3-ylamide dihydrochloride
CAS No: 936233-14-6 Catalog No: AG00GUY9 MDL No:MFCD09834609
Product Description
Catalog Number:
AG00GUY9
Chemical Name:
(R)-Isoquinoline-5-sulfonic acid pyrrolidin-3-ylamide dihydrochloride
CAS Number:
936233-14-6
Molecular Formula:
C13H15N3O2S
Molecular Weight:
277.3421
MDL Number:
MFCD09834609
IUPAC Name:
N-[(3R)-pyrrolidin-3-yl]isoquinoline-5-sulfonamide
InChI:
InChI=1S/C13H15N3O2S/c17-19(18,16-11-4-6-15-9-11)13-3-1-2-10-8-14-7-5-12(10)13/h1-3,5,7-8,11,15-16H,4,6,9H2/t11-/m1/s1
InChI Key:
DPOHKNPOBZVTBK-LLVKDONJSA-N
SMILES:
O=S(=O)(c1cccc2c1ccnc2)N[C@H]1CNCC1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
277.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.342g/mol
Monoisotopic Mass:
277.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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