1-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]-N-methylmethanesulfonamide

C13H19N3O2S — CID 55225990

IUPAC1-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]-N-methylmethanesulfonamide
SMILESCN(C)CCN(C)S(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C13H19N3O2S/c1-15(2)8-9-16(3)19(17,18)11-13-6-4-12(10-14)5-7-13/h4-7H,8-9,11H2,1-3H3
InChIKeyUXHIHCPIQGAMSJ-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.88
Rot. Bonds6

About 1-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]-N-methylmethanesulfonamide

1-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]-N-methylmethanesulfonamide (PubChem CID 55225990) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]-N-methylmethanesulfonamide
PubChem CID55225990
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name1-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]-N-methylmethanesulfonamide
SMILESCN(C)CCN(C)S(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C13H19N3O2S/c1-15(2)8-9-16(3)19(17,18)11-13-6-4-12(10-14)5-7-13/h4-7H,8-9,11H2,1-3H3
InChIKeyUXHIHCPIQGAMSJ-UHFFFAOYSA-N
XLogP0.88
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyanophenyl)-N-methyl-N-(2-methylpropyl)methanesulfonamide
CID 43272243
2-[(4-cyanophenyl)methylsulfonyl-methylamino]-N,N-dimethylacetamide
CID 43216444
4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzonitrile
CID 55149643
1-(4-cyanophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide
CID 43397003
1-(4-cyanophenyl)-N-ethyl-N-propan-2-ylmethanesulfonamide
CID 43265953
1-bromo-N-[(4-cyanophenyl)methyl]-N-methylmethanesulfonamide
CID 83083709
1-chloro-N-[(4-cyanophenyl)methyl]-N-methylmethanesulfonamide
CID 63666179
1-(4-cyanophenyl)-N-prop-2-enyl-N-propylmethanesulfonamide
CID 107857451
1-(4-cyanophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide
CID 63707699
1-(3-cyanophenyl)-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
CID 54879646
1-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylmethanesulfonamide
CID 107857512
1-(4-cyanophenyl)-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide
CID 61067231

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]-N-methylmethanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]-N-methylmethanesulfonamide (CID 55225990) is 1-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]-N-methylmethanesulfonamide is CN(C)CCN(C)S(=O)(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]-N-methylmethanesulfonamide?
The InChIKey is UXHIHCPIQGAMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-15(2)8-9-16(3)19(17,18)11-13-6-4-12(10-14)5-7-13/h4-7H,8-9,11H2,1-3H3.
What are the key properties of 1-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]-N-methylmethanesulfonamide?
1-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]-N-methylmethanesulfonamide has a molecular weight of 281.38 g/mol, XLogP of 0.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 55225990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).