N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylethanesulfonamide

C14H24N2O3S — CID 103844738

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylethanesulfonamide
SMILESCCC(CC)(CO)CNS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C14H24N2O3S/c1-3-14(4-2,12-17)11-16-20(18,19)10-8-13-7-5-6-9-15-13/h5-7,9,16-17H,3-4,8,10-12H2,1-2H3
InChIKeyZOBSVEMLPVHTAR-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.34
Rot. Bonds9

About N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylethanesulfonamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylethanesulfonamide (PubChem CID 103844738) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylethanesulfonamide
PubChem CID103844738
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylethanesulfonamide
SMILESCCC(CC)(CO)CNS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C14H24N2O3S/c1-3-14(4-2,12-17)11-16-20(18,19)10-8-13-7-5-6-9-15-13/h5-7,9,16-17H,3-4,8,10-12H2,1-2H3
InChIKeyZOBSVEMLPVHTAR-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-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 115365959
3-hydroxy-3-methyl-4-(2-pyridin-2-ylethylsulfonylamino)butanoic acid
CID 66002755
ethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate
CID 60863124
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylacetamide
CID 106252214
N-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide
CID 113498094
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-pyridin-2-ylethanesulfonamide
CID 114011018
3-methyl-2-[(2-pyridin-2-ylethylsulfonylamino)methyl]butanoic acid
CID 65220958
2-(2-pyridin-2-ylethylsulfonylamino)pentanoic acid
CID 60865090
N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 74224453
N-(5-amino-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide
CID 106154324
N-(2-azidoethyl)-2-pyridin-2-ylethanesulfonamide
CID 61343078
N-(2-bromo-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide
CID 107158232

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylethanesulfonamide (CID 103844738) is N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylethanesulfonamide is CCC(CC)(CO)CNS(=O)(=O)CCc1ccccn1.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylethanesulfonamide?
The InChIKey is ZOBSVEMLPVHTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-3-14(4-2,12-17)11-16-20(18,19)10-8-13-7-5-6-9-15-13/h5-7,9,16-17H,3-4,8,10-12H2,1-2H3.
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylethanesulfonamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-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-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 103844738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).