[(3S)-1-(2-chlorophenyl)sulfonyl-3-ethylpiperidin-3-yl]methanol

C14H20ClNO3S — CID 97133385

IUPAC[(3S)-1-(2-chlorophenyl)sulfonyl-3-ethylpiperidin-3-yl]methanol
SMILESCC[C@]1(CO)CCCN(S(=O)(=O)c2ccccc2Cl)C1
InChIInChI=1S/C14H20ClNO3S/c1-2-14(11-17)8-5-9-16(10-14)20(18,19)13-7-4-3-6-12(13)15/h3-4,6-7,17H,2,5,8-11H2,1H3/t14-/m0/s1
InChIKeyGSKNLSSNVNOSAA-AWEZNQCLSA-N
MW317.84 g/mol
LogP2.51
Rot. Bonds4

About [(3S)-1-(2-chlorophenyl)sulfonyl-3-ethylpiperidin-3-yl]methanol

[(3S)-1-(2-chlorophenyl)sulfonyl-3-ethylpiperidin-3-yl]methanol (PubChem CID 97133385) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is [(3S)-1-(2-chlorophenyl)sulfonyl-3-ethylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-(2-chlorophenyl)sulfonyl-3-ethylpiperidin-3-yl]methanol
PubChem CID97133385
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name[(3S)-1-(2-chlorophenyl)sulfonyl-3-ethylpiperidin-3-yl]methanol
SMILESCC[C@]1(CO)CCCN(S(=O)(=O)c2ccccc2Cl)C1
InChIInChI=1S/C14H20ClNO3S/c1-2-14(11-17)8-5-9-16(10-14)20(18,19)13-7-4-3-6-12(13)15/h3-4,6-7,17H,2,5,8-11H2,1H3/t14-/m0/s1
InChIKeyGSKNLSSNVNOSAA-AWEZNQCLSA-N
XLogP2.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)sulfonyl-4-ethylpiperidine-4-carboxylic acid
CID 63125671
3-chloro-4-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzonitrile
CID 131916912
[(3S)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol
CID 97140915
(3R)-1-(2-chlorophenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95088198
[1-(benzenesulfonyl)-3-prop-2-enylpiperidin-3-yl]methanol
CID 72844633
[3-benzyl-1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methanol
CID 45210574
9-(2-chlorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3766966
4-(2-chlorophenyl)sulfonyl-N-propyl-1,4-diazepane-1-carboxamide
CID 110812061
2-(4,4-diethylpiperidin-1-yl)sulfonylaniline
CID 63156931
ethyl 4-(aminomethyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxylate
CID 70833458
(4aR,8aR)-6-(2-chlorophenyl)sulfonyl-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97363157
6-(2-chlorophenyl)sulfonyl-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 131644998

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(2-chlorophenyl)sulfonyl-3-ethylpiperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-(2-chlorophenyl)sulfonyl-3-ethylpiperidin-3-yl]methanol (CID 97133385) is [(3S)-1-(2-chlorophenyl)sulfonyl-3-ethylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-(2-chlorophenyl)sulfonyl-3-ethylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-(2-chlorophenyl)sulfonyl-3-ethylpiperidin-3-yl]methanol is CC[C@]1(CO)CCCN(S(=O)(=O)c2ccccc2Cl)C1.
What is the InChIKey of [(3S)-1-(2-chlorophenyl)sulfonyl-3-ethylpiperidin-3-yl]methanol?
The InChIKey is GSKNLSSNVNOSAA-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-2-14(11-17)8-5-9-16(10-14)20(18,19)13-7-4-3-6-12(13)15/h3-4,6-7,17H,2,5,8-11H2,1H3/t14-/m0/s1.
What are the key properties of [(3S)-1-(2-chlorophenyl)sulfonyl-3-ethylpiperidin-3-yl]methanol?
[(3S)-1-(2-chlorophenyl)sulfonyl-3-ethylpiperidin-3-yl]methanol has a molecular weight of 317.84 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(2-chlorophenyl)sulfonyl-3-ethylpiperidin-3-yl]methanol is sourced from PubChem (CID 97133385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).