N-(3-hydroxybutyl)-N-methyl-2-pyridin-2-ylethanesulfonamide

C12H20N2O3S — CID 115756308

IUPACN-(3-hydroxybutyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
SMILESCC(O)CCN(C)S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C12H20N2O3S/c1-11(15)6-9-14(2)18(16,17)10-7-12-5-3-4-8-13-12/h3-5,8,11,15H,6-7,9-10H2,1-2H3
InChIKeyWWUHXFMUWFMVDO-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.66
Rot. Bonds7

About N-(3-hydroxybutyl)-N-methyl-2-pyridin-2-ylethanesulfonamide

N-(3-hydroxybutyl)-N-methyl-2-pyridin-2-ylethanesulfonamide (PubChem CID 115756308) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N-methyl-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
PubChem CID115756308
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(3-hydroxybutyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
SMILESCC(O)CCN(C)S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C12H20N2O3S/c1-11(15)6-9-14(2)18(16,17)10-7-12-5-3-4-8-13-12/h3-5,8,11,15H,6-7,9-10H2,1-2H3
InChIKeyWWUHXFMUWFMVDO-UHFFFAOYSA-N
XLogP0.66
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 61349685
4-[methyl(2-pyridin-2-ylethyl)sulfamoyl]butanoic acid
CID 28774366
(2R)-5-pyridin-2-ylpentan-2-ol
CID 149104953
ethyl 2-[methyl(2-pyridin-2-ylethylsulfonyl)amino]acetate
CID 55008366
N-(3-bromopropyl)-N-propan-2-yl-2-pyridin-2-ylethanesulfonamide
CID 80673058
1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide
CID 60677937
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 61067284
N-(2-chloroethyl)-N-pentan-3-yl-2-pyridin-2-ylethanesulfonamide
CID 63400421
2-[methyl(2-pyridin-2-ylethyl)amino]-1-phenylpropan-1-one
CID 43228048
N-(2-amino-1-cyclopropylethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 116652205
N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide
CID 107300042

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N-methyl-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(3-hydroxybutyl)-N-methyl-2-pyridin-2-ylethanesulfonamide (CID 115756308) is N-(3-hydroxybutyl)-N-methyl-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N-methyl-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(3-hydroxybutyl)-N-methyl-2-pyridin-2-ylethanesulfonamide is CC(O)CCN(C)S(=O)(=O)CCc1ccccn1.
What is the InChIKey of N-(3-hydroxybutyl)-N-methyl-2-pyridin-2-ylethanesulfonamide?
The InChIKey is WWUHXFMUWFMVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-11(15)6-9-14(2)18(16,17)10-7-12-5-3-4-8-13-12/h3-5,8,11,15H,6-7,9-10H2,1-2H3.
What are the key properties of N-(3-hydroxybutyl)-N-methyl-2-pyridin-2-ylethanesulfonamide?
N-(3-hydroxybutyl)-N-methyl-2-pyridin-2-ylethanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N-methyl-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 115756308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).