(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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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).