(3S)-1-(3-methylphenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine

C18H25N3O2S — CID 97199633

IUPAC(3S)-1-(3-methylphenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine
SMILESCc1cccc(S(=O)(=O)N2CCC[C@H](c3nccn3C(C)C)C2)c1
InChIInChI=1S/C18H25N3O2S/c1-14(2)21-11-9-19-18(21)16-7-5-10-20(13-16)24(22,23)17-8-4-6-15(3)12-17/h4,6,8-9,11-12,14,16H,5,7,10,13H2,1-3H3/t16-/m0/s1
InChIKeyGPFIPGIHFLIFDO-INIZCTEOSA-N
MW347.48 g/mol
LogP3.34
Rot. Bonds4

About (3S)-1-(3-methylphenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine

(3S)-1-(3-methylphenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine (PubChem CID 97199633) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is (3S)-1-(3-methylphenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine.

Molecular Properties

Compound Name(3S)-1-(3-methylphenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine
PubChem CID97199633
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name(3S)-1-(3-methylphenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine
SMILESCc1cccc(S(=O)(=O)N2CCC[C@H](c3nccn3C(C)C)C2)c1
InChIInChI=1S/C18H25N3O2S/c1-14(2)21-11-9-19-18(21)16-7-5-10-20(13-16)24(22,23)17-8-4-6-15(3)12-17/h4,6,8-9,11-12,14,16H,5,7,10,13H2,1-3H3/t16-/m0/s1
InChIKeyGPFIPGIHFLIFDO-INIZCTEOSA-N
XLogP3.34
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenyl)-1-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
CID 72920585
3,5-dimethyl-4-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]sulfonyl-1,2-oxazole
CID 97199064
3-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]sulfonylbenzoic acid
CID 70768359
3-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)sulfonylpiperidine
CID 154796219
5-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
CID 121117790
N-[[1-(3-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-2-amine
CID 63241431
1-(3-methylphenyl)sulfonylpiperidine-3-sulfonamide
CID 61132771
2-[2-[1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
CID 72909815
(2-hydroxy-3-methylphenyl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97272457
3-methyl-2-[(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 95110344
3-isocyanato-1-(3-methylphenyl)sulfonylpiperidine
CID 24699747
(3R)-1-(3-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 42257645

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-methylphenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine?
The IUPAC name of (3S)-1-(3-methylphenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine (CID 97199633) is (3S)-1-(3-methylphenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine.
What is the SMILES notation for (3S)-1-(3-methylphenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine?
The canonical SMILES for (3S)-1-(3-methylphenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine is Cc1cccc(S(=O)(=O)N2CCC[C@H](c3nccn3C(C)C)C2)c1.
What is the InChIKey of (3S)-1-(3-methylphenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine?
The InChIKey is GPFIPGIHFLIFDO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-14(2)21-11-9-19-18(21)16-7-5-10-20(13-16)24(22,23)17-8-4-6-15(3)12-17/h4,6,8-9,11-12,14,16H,5,7,10,13H2,1-3H3/t16-/m0/s1.
What are the key properties of (3S)-1-(3-methylphenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine?
(3S)-1-(3-methylphenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine has a molecular weight of 347.48 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-methylphenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine is sourced from PubChem (CID 97199633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).