5-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one

C13H17N3O3S — CID 8778115

IUPAC5-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
SMILESC[C@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H17N3O3S/c1-9-4-2-3-7-16(9)20(18,19)10-5-6-11-12(8-10)15-13(17)14-11/h5-6,8-9H,2-4,7H2,1H3,(H2,14,15,17)/t9-/m0/s1
InChIKeyAGUBFKKAFKFCIP-VIFPVBQESA-N
MW295.36 g/mol
LogP1.42
Rot. Bonds2

About 5-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one

5-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one (PubChem CID 8778115) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 5-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
PubChem CID8778115
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name5-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
SMILESC[C@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H17N3O3S/c1-9-4-2-3-7-16(9)20(18,19)10-5-6-11-12(8-10)15-13(17)14-11/h5-6,8-9H,2-4,7H2,1H3,(H2,14,15,17)/t9-/m0/s1
InChIKeyAGUBFKKAFKFCIP-VIFPVBQESA-N
XLogP1.42
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-ethylpyrrolidin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110604707
1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine
CID 3701058
6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 118553851
2-(2-methylpiperidin-1-yl)sulfonylanthracene-9,10-dione
CID 3801619
5-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110871668
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
2-methyl-1-naphthalen-2-ylsulfonylpiperidine
CID 3745150
5-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]sulfonyl]-1,3-dihydrobenzimidazol-2-one
CID 11933540
5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110873181
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
(2S)-1-(4-bromo-3-methoxyphenyl)sulfonyl-2-methylpiperidine
CID 2239887
5-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110411418

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one (CID 8778115) is 5-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one is C[C@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one?
The InChIKey is AGUBFKKAFKFCIP-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9-4-2-3-7-16(9)20(18,19)10-5-6-11-12(8-10)15-13(17)14-11/h5-6,8-9H,2-4,7H2,1H3,(H2,14,15,17)/t9-/m0/s1.
What are the key properties of 5-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one?
5-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one has a molecular weight of 295.36 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 8778115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).