(3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide

C17H24N4O3S — CID 125145269

IUPAC(3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide
SMILESCn1c(CNC(=O)N2CCC[C@H](CS(C)(=O)=O)C2)nc2ccccc21
InChIInChI=1S/C17H24N4O3S/c1-20-15-8-4-3-7-14(15)19-16(20)10-18-17(22)21-9-5-6-13(11-21)12-25(2,23)24/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,18,22)/t13-/m0/s1
InChIKeyKEQNLSCQCPKOMO-ZDUSSCGKSA-N
MW364.47 g/mol
LogP1.54
Rot. Bonds4

About (3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide

(3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide (PubChem CID 125145269) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is (3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide
PubChem CID125145269
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name(3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide
SMILESCn1c(CNC(=O)N2CCC[C@H](CS(C)(=O)=O)C2)nc2ccccc21
InChIInChI=1S/C17H24N4O3S/c1-20-15-8-4-3-7-14(15)19-16(20)10-18-17(22)21-9-5-6-13(11-21)12-25(2,23)24/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,18,22)/t13-/m0/s1
InChIKeyKEQNLSCQCPKOMO-ZDUSSCGKSA-N
XLogP1.54
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 139008536
3-(hydroxymethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 131946837
(3S)-3-(methylsulfonylmethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide
CID 126431963
3-(methylsulfonylmethyl)-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 119072082
(3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide
CID 125145592
1-(4-fluorobenzoyl)-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 55454693
N-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide
CID 119072160
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 40939662
N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
CID 110712040
2-(1H-benzimidazol-2-yl)-1-[3-(methylsulfonylmethyl)piperidin-1-yl]ethanone
CID 121499720
3-amino-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119834834
N-cyclopropyl-3-(methylsulfonylmethyl)piperidine-1-carboxamide
CID 146083111

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide (CID 125145269) is (3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide is Cn1c(CNC(=O)N2CCC[C@H](CS(C)(=O)=O)C2)nc2ccccc21.
What is the InChIKey of (3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide?
The InChIKey is KEQNLSCQCPKOMO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-20-15-8-4-3-7-14(15)19-16(20)10-18-17(22)21-9-5-6-13(11-21)12-25(2,23)24/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,18,22)/t13-/m0/s1.
What are the key properties of (3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide?
(3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 125145269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).