1-(3-cyanophenyl)-N-(2-hydroxyethyl)-N-methylmethanesulfonamide

C11H14N2O3S — CID 54879646

IUPAC1-(3-cyanophenyl)-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
SMILESCN(CCO)S(=O)(=O)Cc1cccc(C#N)c1
InChIInChI=1S/C11H14N2O3S/c1-13(5-6-14)17(15,16)9-11-4-2-3-10(7-11)8-12/h2-4,7,14H,5-6,9H2,1H3
InChIKeyUIZWHQAVXFVYNJ-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.31
Rot. Bonds5

About 1-(3-cyanophenyl)-N-(2-hydroxyethyl)-N-methylmethanesulfonamide

1-(3-cyanophenyl)-N-(2-hydroxyethyl)-N-methylmethanesulfonamide (PubChem CID 54879646) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-N-(2-hydroxyethyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(3-cyanophenyl)-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
PubChem CID54879646
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1-(3-cyanophenyl)-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
SMILESCN(CCO)S(=O)(=O)Cc1cccc(C#N)c1
InChIInChI=1S/C11H14N2O3S/c1-13(5-6-14)17(15,16)9-11-4-2-3-10(7-11)8-12/h2-4,7,14H,5-6,9H2,1H3
InChIKeyUIZWHQAVXFVYNJ-UHFFFAOYSA-N
XLogP0.31
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide;hydrochloride
CID 119992112
1-(3-cyanophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)methanesulfonamide
CID 102847448
N-(4-aminocyclohexyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide
CID 79113614
1-(3-cyanophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide
CID 71977809
1-(3-cyanophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)methanesulfonamide
CID 115363084
4-cyano-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide
CID 103833705
3-[(3-hydroxy-2-methylpropyl)sulfonylmethyl]benzonitrile
CID 111469891
1-(3-cyanophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)methanesulfonamide
CID 115754866
(3-cyanophenyl)methanesulfonohydrazide
CID 43476897
1-(3-cyanophenyl)-N-[3-(diethylamino)propyl]methanesulfonamide
CID 78863466
N-[(3-cyanophenyl)methyl]-2-methoxy-N-methylethanesulfonamide
CID 55153232
1-(3-cyanophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)methanesulfonamide
CID 103836250

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-N-(2-hydroxyethyl)-N-methylmethanesulfonamide?
The IUPAC name of 1-(3-cyanophenyl)-N-(2-hydroxyethyl)-N-methylmethanesulfonamide (CID 54879646) is 1-(3-cyanophenyl)-N-(2-hydroxyethyl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(3-cyanophenyl)-N-(2-hydroxyethyl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-(3-cyanophenyl)-N-(2-hydroxyethyl)-N-methylmethanesulfonamide is CN(CCO)S(=O)(=O)Cc1cccc(C#N)c1.
What is the InChIKey of 1-(3-cyanophenyl)-N-(2-hydroxyethyl)-N-methylmethanesulfonamide?
The InChIKey is UIZWHQAVXFVYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-13(5-6-14)17(15,16)9-11-4-2-3-10(7-11)8-12/h2-4,7,14H,5-6,9H2,1H3.
What are the key properties of 1-(3-cyanophenyl)-N-(2-hydroxyethyl)-N-methylmethanesulfonamide?
1-(3-cyanophenyl)-N-(2-hydroxyethyl)-N-methylmethanesulfonamide has a molecular weight of 254.31 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-N-(2-hydroxyethyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 54879646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).