(3R)-N-(1H-benzimidazol-2-ylmethyl)-N,3-dimethylpiperidine-1-sulfonamide

C15H22N4O2S — CID 35385286

IUPAC(3R)-N-(1H-benzimidazol-2-ylmethyl)-N,3-dimethylpiperidine-1-sulfonamide
SMILESC[C@@H]1CCCN(S(=O)(=O)N(C)Cc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C15H22N4O2S/c1-12-6-5-9-19(10-12)22(20,21)18(2)11-15-16-13-7-3-4-8-14(13)17-15/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,16,17)/t12-/m1/s1
InChIKeyZTTRKJZAVMDSDY-GFCCVEGCSA-N
MW322.43 g/mol
LogP1.97
Rot. Bonds4

About (3R)-N-(1H-benzimidazol-2-ylmethyl)-N,3-dimethylpiperidine-1-sulfonamide

(3R)-N-(1H-benzimidazol-2-ylmethyl)-N,3-dimethylpiperidine-1-sulfonamide (PubChem CID 35385286) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is (3R)-N-(1H-benzimidazol-2-ylmethyl)-N,3-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-N-(1H-benzimidazol-2-ylmethyl)-N,3-dimethylpiperidine-1-sulfonamide
PubChem CID35385286
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name(3R)-N-(1H-benzimidazol-2-ylmethyl)-N,3-dimethylpiperidine-1-sulfonamide
SMILESC[C@@H]1CCCN(S(=O)(=O)N(C)Cc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C15H22N4O2S/c1-12-6-5-9-19(10-12)22(20,21)18(2)11-15-16-13-7-3-4-8-14(13)17-15/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,16,17)/t12-/m1/s1
InChIKeyZTTRKJZAVMDSDY-GFCCVEGCSA-N
XLogP1.97
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methyl]-1H-benzimidazole
CID 46980652
(3S)-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 35431927
(3S)-N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 95556906
3-(1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-sulfonamide
CID 42936634
N-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide
CID 36516588
2-(1H-benzimidazol-2-yl)-1-[(4S)-4-methylazepan-1-yl]ethanone
CID 126432563
2-[[methyl-[(1-oxothiolan-1-ylidene)amino]sulfonylamino]methyl]-1H-benzimidazole
CID 126823525
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-N-methylbenzenesulfonamide
CID 35385353
3-(methoxymethyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-1-sulfonamide
CID 137247431
N-(1H-benzimidazol-2-ylmethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide
CID 55906277
N-(1H-benzimidazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 36515812

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1H-benzimidazol-2-ylmethyl)-N,3-dimethylpiperidine-1-sulfonamide?
The IUPAC name of (3R)-N-(1H-benzimidazol-2-ylmethyl)-N,3-dimethylpiperidine-1-sulfonamide (CID 35385286) is (3R)-N-(1H-benzimidazol-2-ylmethyl)-N,3-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for (3R)-N-(1H-benzimidazol-2-ylmethyl)-N,3-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for (3R)-N-(1H-benzimidazol-2-ylmethyl)-N,3-dimethylpiperidine-1-sulfonamide is C[C@@H]1CCCN(S(=O)(=O)N(C)Cc2nc3ccccc3[nH]2)C1.
What is the InChIKey of (3R)-N-(1H-benzimidazol-2-ylmethyl)-N,3-dimethylpiperidine-1-sulfonamide?
The InChIKey is ZTTRKJZAVMDSDY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-12-6-5-9-19(10-12)22(20,21)18(2)11-15-16-13-7-3-4-8-14(13)17-15/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (3R)-N-(1H-benzimidazol-2-ylmethyl)-N,3-dimethylpiperidine-1-sulfonamide?
(3R)-N-(1H-benzimidazol-2-ylmethyl)-N,3-dimethylpiperidine-1-sulfonamide has a molecular weight of 322.43 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1H-benzimidazol-2-ylmethyl)-N,3-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 35385286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).