N-butyl-N-(2-hydroxyethyl)-2-pyridin-4-ylethanesulfonamide

C13H22N2O3S — CID 61448116

IUPACN-butyl-N-(2-hydroxyethyl)-2-pyridin-4-ylethanesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)CCc1ccncc1
InChIInChI=1S/C13H22N2O3S/c1-2-3-9-15(10-11-16)19(17,18)12-6-13-4-7-14-8-5-13/h4-5,7-8,16H,2-3,6,9-12H2,1H3
InChIKeyHBWPGMIXHXTTIF-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.05
Rot. Bonds9

About N-butyl-N-(2-hydroxyethyl)-2-pyridin-4-ylethanesulfonamide

N-butyl-N-(2-hydroxyethyl)-2-pyridin-4-ylethanesulfonamide (PubChem CID 61448116) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-2-pyridin-4-ylethanesulfonamide
PubChem CID61448116
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-butyl-N-(2-hydroxyethyl)-2-pyridin-4-ylethanesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)CCc1ccncc1
InChIInChI=1S/C13H22N2O3S/c1-2-3-9-15(10-11-16)19(17,18)12-6-13-4-7-14-8-5-13/h4-5,7-8,16H,2-3,6,9-12H2,1H3
InChIKeyHBWPGMIXHXTTIF-UHFFFAOYSA-N
XLogP1.05
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(2-pyridin-4-ylethylsulfonyl)amino]acetic acid
CID 54900131
4-(2-ethylsulfonylethyl)pyridine
CID 59155282
1-(4-aminophenyl)-N-butyl-N-(2-hydroxyethyl)methanesulfonamide
CID 61111090
N-butyl-4-(2-chloroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 60958697
3-[tert-butyl(2-pyridin-4-ylethylsulfonyl)amino]propanoic acid
CID 60891514
3-[methyl(2-pyridin-4-ylethylsulfonyl)amino]propanethioamide
CID 60892675
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
N-methyl-2-[methylsulfonyl(pentyl)amino]-N-(2-pyridin-4-ylethyl)acetamide
CID 113153413
N-butyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54972654
methyl 3-[butyl(2-hydroxyethyl)sulfamoyl]propanoate
CID 54951714
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylethanesulfonamide
CID 107483491
butyl(2-hydroxyethyl)sulfamic acid
CID 134897144

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-2-pyridin-4-ylethanesulfonamide (CID 61448116) is N-butyl-N-(2-hydroxyethyl)-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-2-pyridin-4-ylethanesulfonamide is CCCCN(CCO)S(=O)(=O)CCc1ccncc1.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-2-pyridin-4-ylethanesulfonamide?
The InChIKey is HBWPGMIXHXTTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-2-3-9-15(10-11-16)19(17,18)12-6-13-4-7-14-8-5-13/h4-5,7-8,16H,2-3,6,9-12H2,1H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-2-pyridin-4-ylethanesulfonamide?
N-butyl-N-(2-hydroxyethyl)-2-pyridin-4-ylethanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 61448116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).