4-[hydroxy(phenyl)methyl]-N-methylpiperidine-1-sulfonamide

C13H20N2O3S — CID 167877092

IUPAC4-[hydroxy(phenyl)methyl]-N-methylpiperidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C13H20N2O3S/c1-14-19(17,18)15-9-7-12(8-10-15)13(16)11-5-3-2-4-6-11/h2-6,12-14,16H,7-10H2,1H3
InChIKeyYXFFOLGUJJVQSW-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.90
Rot. Bonds4

About 4-[hydroxy(phenyl)methyl]-N-methylpiperidine-1-sulfonamide

4-[hydroxy(phenyl)methyl]-N-methylpiperidine-1-sulfonamide (PubChem CID 167877092) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-[hydroxy(phenyl)methyl]-N-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[hydroxy(phenyl)methyl]-N-methylpiperidine-1-sulfonamide
PubChem CID167877092
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-[hydroxy(phenyl)methyl]-N-methylpiperidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C13H20N2O3S/c1-14-19(17,18)15-9-7-12(8-10-15)13(16)11-5-3-2-4-6-11/h2-6,12-14,16H,7-10H2,1H3
InChIKeyYXFFOLGUJJVQSW-UHFFFAOYSA-N
XLogP0.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[[1-(methylsulfamoyl)piperidin-4-yl]-phenylmethyl] carbamate
CID 175222339
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-methylpropane-1-sulfonamide
CID 111022318
(S)-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-phenylmethanol
CID 97239217
4-[(S)-hydroxy(phenyl)methyl]-N-phenylpiperidine-1-carboxamide
CID 51547304
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110909513
(S)-cyclopentyl(phenyl)methanol
CID 36691435
(R)-cyclopentyl(phenyl)methanol
CID 38988779
phenyl-(1-prop-2-ynylpiperidin-4-yl)methanol
CID 110884402
(R)-cycloheptyl(phenyl)methanol
CID 94502427
N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55590117
N-cyclopentyl-4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 38206268
tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate
CID 11818626

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy(phenyl)methyl]-N-methylpiperidine-1-sulfonamide?
The IUPAC name of 4-[hydroxy(phenyl)methyl]-N-methylpiperidine-1-sulfonamide (CID 167877092) is 4-[hydroxy(phenyl)methyl]-N-methylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-[hydroxy(phenyl)methyl]-N-methylpiperidine-1-sulfonamide?
The canonical SMILES for 4-[hydroxy(phenyl)methyl]-N-methylpiperidine-1-sulfonamide is CNS(=O)(=O)N1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of 4-[hydroxy(phenyl)methyl]-N-methylpiperidine-1-sulfonamide?
The InChIKey is YXFFOLGUJJVQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-14-19(17,18)15-9-7-12(8-10-15)13(16)11-5-3-2-4-6-11/h2-6,12-14,16H,7-10H2,1H3.
What are the key properties of 4-[hydroxy(phenyl)methyl]-N-methylpiperidine-1-sulfonamide?
4-[hydroxy(phenyl)methyl]-N-methylpiperidine-1-sulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(phenyl)methyl]-N-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 167877092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).