4-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylbenzenesulfonamide

C14H22N2O3S — CID 61146694

IUPAC4-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCCCC2CCO)cc1
InChIInChI=1S/C14H22N2O3S/c1-15-20(18,19)14-7-5-13(6-8-14)16-10-3-2-4-12(16)9-11-17/h5-8,12,15,17H,2-4,9-11H2,1H3
InChIKeyBXUPTQVTBDPWNF-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.34
Rot. Bonds5

About 4-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylbenzenesulfonamide

4-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylbenzenesulfonamide (PubChem CID 61146694) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
PubChem CID61146694
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCCCC2CCO)cc1
InChIInChI=1S/C14H22N2O3S/c1-15-20(18,19)14-7-5-13(6-8-14)16-10-3-2-4-12(16)9-11-17/h5-8,12,15,17H,2-4,9-11H2,1H3
InChIKeyBXUPTQVTBDPWNF-UHFFFAOYSA-N
XLogP1.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[2-(methylaminomethyl)piperidin-1-yl]benzenesulfonamide
CID 63253614
2-[1-(4-amino-3-methylphenyl)piperidin-2-yl]ethanol
CID 43436167
4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide
CID 61409237
4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonic acid
CID 91451326
2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]ethanol
CID 117028550
2-(2-bromoethyl)-1-(4-propylsulfonylphenyl)piperidine
CID 80655620
4-[4-(hydroxymethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
CID 61146860
4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide
CID 51218665
N-[[1-(4-methylsulfonylphenyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62592004
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 54878321
3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide
CID 60712967
N-[[1-(4-methylsulfonylphenyl)piperidin-2-yl]methyl]propan-1-amine
CID 62592530

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylbenzenesulfonamide (CID 61146694) is 4-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N2CCCCC2CCO)cc1.
What is the InChIKey of 4-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylbenzenesulfonamide?
The InChIKey is BXUPTQVTBDPWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-15-20(18,19)14-7-5-13(6-8-14)16-10-3-2-4-12(16)9-11-17/h5-8,12,15,17H,2-4,9-11H2,1H3.
What are the key properties of 4-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylbenzenesulfonamide?
4-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 61146694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).