N-(5-hydroxy-2,2-dimethylpentyl)-2-pyridin-4-ylethanesulfonamide

C14H24N2O3S — CID 103896608

IUPACN-(5-hydroxy-2,2-dimethylpentyl)-2-pyridin-4-ylethanesulfonamide
SMILESCC(C)(CCCO)CNS(=O)(=O)CCc1ccncc1
InChIInChI=1S/C14H24N2O3S/c1-14(2,7-3-10-17)12-16-20(18,19)11-6-13-4-8-15-9-5-13/h4-5,8-9,16-17H,3,6-7,10-12H2,1-2H3
InChIKeyJHCVWNZOJCDVLS-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.34
Rot. Bonds9

About N-(5-hydroxy-2,2-dimethylpentyl)-2-pyridin-4-ylethanesulfonamide

N-(5-hydroxy-2,2-dimethylpentyl)-2-pyridin-4-ylethanesulfonamide (PubChem CID 103896608) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)-2-pyridin-4-ylethanesulfonamide
PubChem CID103896608
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)-2-pyridin-4-ylethanesulfonamide
SMILESCC(C)(CCCO)CNS(=O)(=O)CCc1ccncc1
InChIInChI=1S/C14H24N2O3S/c1-14(2,7-3-10-17)12-16-20(18,19)11-6-13-4-8-15-9-5-13/h4-5,8-9,16-17H,3,6-7,10-12H2,1-2H3
InChIKeyJHCVWNZOJCDVLS-UHFFFAOYSA-N
XLogP1.34
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxypropane-1-sulfonamide
CID 113347924
N-(3-chloro-2,2-dimethylpropyl)-2-phenylethanesulfonamide
CID 113295116
N-(5-hydroxy-4-methylpentyl)-2-pyridin-4-ylethanesulfonamide
CID 103858835
N-[3-(hydroxymethyl)pentan-3-yl]-2-pyridin-4-ylethanesulfonamide
CID 62521426
N-(2-bromoethyl)-2-pyridin-4-ylethanesulfonamide
CID 60890941
N-(2-aminoethyl)-2-pyridin-4-ylethanesulfonamide
CID 60892089
N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 115613329
N-[2-(4-hydroxyphenyl)ethyl]-2-pyridin-4-ylethanesulfonamide
CID 61017540
4-(2-ethylsulfonylethyl)pyridine
CID 59155282
N-(4-chloro-2-methylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 66089715
N-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide
CID 103896593
N-(4-amino-2-methylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 66089296

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-2-pyridin-4-ylethanesulfonamide (CID 103896608) is N-(5-hydroxy-2,2-dimethylpentyl)-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)-2-pyridin-4-ylethanesulfonamide is CC(C)(CCCO)CNS(=O)(=O)CCc1ccncc1.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)-2-pyridin-4-ylethanesulfonamide?
The InChIKey is JHCVWNZOJCDVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-14(2,7-3-10-17)12-16-20(18,19)11-6-13-4-8-15-9-5-13/h4-5,8-9,16-17H,3,6-7,10-12H2,1-2H3.
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)-2-pyridin-4-ylethanesulfonamide?
N-(5-hydroxy-2,2-dimethylpentyl)-2-pyridin-4-ylethanesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 103896608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).