[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanol

C14H21NO4S — CID 43589701

IUPAC[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanol
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C14H21NO4S/c1-11-5-6-13(19-2)14(8-11)20(17,18)15-7-3-4-12(9-15)10-16/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3
InChIKeyMPSYDTYLOGYCGU-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.40
Rot. Bonds4

About [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanol

[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanol (PubChem CID 43589701) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanol
PubChem CID43589701
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanol
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C14H21NO4S/c1-11-5-6-13(19-2)14(8-11)20(17,18)15-7-3-4-12(9-15)10-16/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3
InChIKeyMPSYDTYLOGYCGU-UHFFFAOYSA-N
XLogP1.40
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(2-hydroxyethyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 40975755
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 3318640
N-butan-2-yl-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 5108976
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
[1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-3-yl]methanol
CID 43663013
(3R)-N-cyclohexyl-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302754
(4-benzylpiperidin-1-yl)-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 126392266
[1-(2-amino-4,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanol
CID 43590112
(3R)-N-(3,4-dimethoxyphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126398481
(3S)-N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302817
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 28550070

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanol?
The IUPAC name of [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanol (CID 43589701) is [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanol is COc1ccc(C)cc1S(=O)(=O)N1CCCC(CO)C1.
What is the InChIKey of [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanol?
The InChIKey is MPSYDTYLOGYCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-11-5-6-13(19-2)14(8-11)20(17,18)15-7-3-4-12(9-15)10-16/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3.
What are the key properties of [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanol?
[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanol has a molecular weight of 299.39 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanol is sourced from PubChem (CID 43589701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).