3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide

C15H24N2O3S — CID 114681418

IUPAC3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide
SMILESCC1CN(Cc2cccc(S(=O)(=O)N(C)C)c2)CCC1O
InChIInChI=1S/C15H24N2O3S/c1-12-10-17(8-7-15(12)18)11-13-5-4-6-14(9-13)21(19,20)16(2)3/h4-6,9,12,15,18H,7-8,10-11H2,1-3H3
InChIKeyWEWYBHKHLPGYQT-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.14
Rot. Bonds4

About 3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide

3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 114681418) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide
PubChem CID114681418
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide
SMILESCC1CN(Cc2cccc(S(=O)(=O)N(C)C)c2)CCC1O
InChIInChI=1S/C15H24N2O3S/c1-12-10-17(8-7-15(12)18)11-13-5-4-6-14(9-13)21(19,20)16(2)3/h4-6,9,12,15,18H,7-8,10-11H2,1-3H3
InChIKeyWEWYBHKHLPGYQT-UHFFFAOYSA-N
XLogP1.14
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 29430254
1-[[3-(aminomethyl)phenyl]methyl]-3-methylpiperidin-4-ol
CID 114678032
3-[(3,5-dimethylpiperazin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 119923881
N-(2-aminoethyl)-1-[[3-(dimethylsulfamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 119916692
(3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 129393398
3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 112734019
N,N-dimethyl-3-[(4-phenylpiperazin-1-yl)methyl]benzenesulfonamide
CID 27134749
3-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 115486456
1-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpiperidin-4-ol
CID 114681109
(2S)-1-[[3-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910755
N,N-dimethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzenesulfonamide
CID 134055383
3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 27159090

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide (CID 114681418) is 3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide is CC1CN(Cc2cccc(S(=O)(=O)N(C)C)c2)CCC1O.
What is the InChIKey of 3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is WEWYBHKHLPGYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12-10-17(8-7-15(12)18)11-13-5-4-6-14(9-13)21(19,20)16(2)3/h4-6,9,12,15,18H,7-8,10-11H2,1-3H3.
What are the key properties of 3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide?
3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 114681418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).