1-(4-cyanophenyl)-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide

C14H18N2O3S — CID 61067231

IUPAC1-(4-cyanophenyl)-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide
SMILESCOCCN(C1CC1)S(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O3S/c1-19-9-8-16(14-6-7-14)20(17,18)11-13-4-2-12(10-15)3-5-13/h2-5,14H,6-9,11H2,1H3
InChIKeyZFNAQVSJYFUIDX-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.50
Rot. Bonds7

About 1-(4-cyanophenyl)-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide

1-(4-cyanophenyl)-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide (PubChem CID 61067231) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide
PubChem CID61067231
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name1-(4-cyanophenyl)-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide
SMILESCOCCN(C1CC1)S(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O3S/c1-19-9-8-16(14-6-7-14)20(17,18)11-13-4-2-12(10-15)3-5-13/h2-5,14H,6-9,11H2,1H3
InChIKeyZFNAQVSJYFUIDX-UHFFFAOYSA-N
XLogP1.50
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(aminomethyl)phenyl]-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide
CID 61451821
2-[(4-cyanophenyl)methylsulfonyl-cyclopropylamino]acetic acid
CID 60827545
1-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylmethanesulfonamide
CID 107857512
N-(azetidin-3-yl)-1-(4-cyanophenyl)-N-ethylmethanesulfonamide
CID 66183203
N-(4-cyanophenyl)-3-[cyclopropyl(2-methoxyethyl)amino]propanamide
CID 61451516
1-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]-N-methylmethanesulfonamide
CID 55225990
1-(4-cyanophenyl)-N-(2-methoxyethoxy)methanesulfonamide
CID 82715836
4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide
CID 61451779
methyl 4-[[cyclopropyl(2-hydroxyethyl)sulfamoyl]methyl]benzoate
CID 43577601
1-(3-cyanophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)methanesulfonamide
CID 102847448
1-(4-cyanophenyl)-N-ethyl-N-propan-2-ylmethanesulfonamide
CID 43265953
4-[bis(2-methoxyethyl)amino]benzonitrile
CID 60754027

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide (CID 61067231) is 1-(4-cyanophenyl)-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide is COCCN(C1CC1)S(=O)(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide?
The InChIKey is ZFNAQVSJYFUIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-19-9-8-16(14-6-7-14)20(17,18)11-13-4-2-12(10-15)3-5-13/h2-5,14H,6-9,11H2,1H3.
What are the key properties of 1-(4-cyanophenyl)-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide?
1-(4-cyanophenyl)-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide is sourced from PubChem (CID 61067231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).