N-[3-(1-hydroxyethyl)phenyl]-4-methylpiperidine-1-sulfonamide

C14H22N2O3S — CID 43508625

IUPACN-[3-(1-hydroxyethyl)phenyl]-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)Nc2cccc(C(C)O)c2)CC1
InChIInChI=1S/C14H22N2O3S/c1-11-6-8-16(9-7-11)20(18,19)15-14-5-3-4-13(10-14)12(2)17/h3-5,10-12,15,17H,6-9H2,1-2H3
InChIKeyDEUKMCZEGSDDLP-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.13
Rot. Bonds4

About N-[3-(1-hydroxyethyl)phenyl]-4-methylpiperidine-1-sulfonamide

N-[3-(1-hydroxyethyl)phenyl]-4-methylpiperidine-1-sulfonamide (PubChem CID 43508625) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[3-(1-hydroxyethyl)phenyl]-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(1-hydroxyethyl)phenyl]-4-methylpiperidine-1-sulfonamide
PubChem CID43508625
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[3-(1-hydroxyethyl)phenyl]-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)Nc2cccc(C(C)O)c2)CC1
InChIInChI=1S/C14H22N2O3S/c1-11-6-8-16(9-7-11)20(18,19)15-14-5-3-4-13(10-14)12(2)17/h3-5,10-12,15,17H,6-9H2,1-2H3
InChIKeyDEUKMCZEGSDDLP-UHFFFAOYSA-N
XLogP2.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-sulfonamide
CID 43508114
4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-sulfonamide
CID 43508068
1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene
CID 114959286
2-hydroxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 29297612
N-[3-(3-aminoprop-1-ynyl)phenyl]-4-methylpiperidine-1-sulfonamide
CID 60814956
N-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide
CID 61400325
4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 28784299
2-bromo-5-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 115295978
N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide
CID 43551097
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide
CID 63902333
N-[3-(aminomethyl)-4-fluorophenyl]-4-methylpiperidine-1-sulfonamide
CID 62316606
N-(2-amino-2-phenylethyl)-4-methylpiperidine-1-sulfonamide;hydrochloride
CID 119976296

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hydroxyethyl)phenyl]-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[3-(1-hydroxyethyl)phenyl]-4-methylpiperidine-1-sulfonamide (CID 43508625) is N-[3-(1-hydroxyethyl)phenyl]-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[3-(1-hydroxyethyl)phenyl]-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[3-(1-hydroxyethyl)phenyl]-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)Nc2cccc(C(C)O)c2)CC1.
What is the InChIKey of N-[3-(1-hydroxyethyl)phenyl]-4-methylpiperidine-1-sulfonamide?
The InChIKey is DEUKMCZEGSDDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11-6-8-16(9-7-11)20(18,19)15-14-5-3-4-13(10-14)12(2)17/h3-5,10-12,15,17H,6-9H2,1-2H3.
What are the key properties of N-[3-(1-hydroxyethyl)phenyl]-4-methylpiperidine-1-sulfonamide?
N-[3-(1-hydroxyethyl)phenyl]-4-methylpiperidine-1-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hydroxyethyl)phenyl]-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 43508625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).