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860650-30-2 | N-({2-[4-(hydroxymethyl)piperidin-1-yl]phenyl}methyl)thiophene-2-sulfonamide
CAS No: 860650-30-2 Catalog No: AG00INJJ MDL No:MFCD03787385
Product Description
Catalog Number:
AG00INJJ
Chemical Name:
N-({2-[4-(hydroxymethyl)piperidin-1-yl]phenyl}methyl)thiophene-2-sulfonamide
CAS Number:
860650-30-2
Molecular Formula:
C17H22N2O3S2
Molecular Weight:
366.4982
MDL Number:
MFCD03787385
IUPAC Name:
N-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]thiophene-2-sulfonamide
InChI:
InChI=1S/C17H22N2O3S2/c20-13-14-7-9-19(10-8-14)16-5-2-1-4-15(16)12-18-24(21,22)17-6-3-11-23-17/h1-6,11,14,18,20H,7-10,12-13H2
InChI Key:
UDCQBXMHEFELFX-UHFFFAOYSA-N
SMILES:
OCC1CCN(CC1)c1ccccc1CNS(=O)(=O)c1cccs1
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.107g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
366.494g/mol
Monoisotopic Mass:
366.107g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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