(S)-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-phenylmethanol

C17H23N3O3S — CID 97239217

IUPAC(S)-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-phenylmethanol
SMILESCc1nc(S(=O)(=O)N2CCC([C@H](O)c3ccccc3)CC2)cn1C
InChIInChI=1S/C17H23N3O3S/c1-13-18-16(12-19(13)2)24(22,23)20-10-8-15(9-11-20)17(21)14-6-4-3-5-7-14/h3-7,12,15,17,21H,8-11H2,1-2H3/t17-/m1/s1
InChIKeyYNXIDRSCSMLZAX-QGZVFWFLSA-N
MW349.46 g/mol
LogP1.86
Rot. Bonds4

About (S)-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-phenylmethanol

(S)-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-phenylmethanol (PubChem CID 97239217) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is (S)-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-phenylmethanol
PubChem CID97239217
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name(S)-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-phenylmethanol
SMILESCc1nc(S(=O)(=O)N2CCC([C@H](O)c3ccccc3)CC2)cn1C
InChIInChI=1S/C17H23N3O3S/c1-13-18-16(12-19(13)2)24(22,23)20-10-8-15(9-11-20)17(21)14-6-4-3-5-7-14/h3-7,12,15,17,21H,8-11H2,1-2H3/t17-/m1/s1
InChIKeyYNXIDRSCSMLZAX-QGZVFWFLSA-N
XLogP1.86
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-bromoethyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine
CID 106839595
4-benzylsulfonyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine
CID 121022794
N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine
CID 63877764
4-[hydroxy(phenyl)methyl]-N-methylpiperidine-1-sulfonamide
CID 167877092
4-(3-bromopyrrolidin-1-yl)sulfonyl-1,2-dimethylimidazole
CID 80667755
2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propanoic acid
CID 62311267
1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 46332156
1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-propan-2-yl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 86873711
3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 47092482
(2R)-1-[5-(1,2-dimethylimidazol-4-yl)sulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-3-methyl-2-phenylbutan-1-one
CID 146530083
1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 63259384
N-(1-amino-1-oxopropan-2-yl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 49320695

Frequently Asked Questions

What is the IUPAC name of (S)-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-phenylmethanol?
The IUPAC name of (S)-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-phenylmethanol (CID 97239217) is (S)-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-phenylmethanol.
What is the SMILES notation for (S)-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-phenylmethanol?
The canonical SMILES for (S)-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-phenylmethanol is Cc1nc(S(=O)(=O)N2CCC([C@H](O)c3ccccc3)CC2)cn1C.
What is the InChIKey of (S)-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-phenylmethanol?
The InChIKey is YNXIDRSCSMLZAX-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-13-18-16(12-19(13)2)24(22,23)20-10-8-15(9-11-20)17(21)14-6-4-3-5-7-14/h3-7,12,15,17,21H,8-11H2,1-2H3/t17-/m1/s1.
What are the key properties of (S)-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-phenylmethanol?
(S)-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-phenylmethanol has a molecular weight of 349.46 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-phenylmethanol is sourced from PubChem (CID 97239217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).