1-(4-cyanophenyl)-N-methyl-N-(2-methylpropyl)methanesulfonamide

C13H18N2O2S — CID 43272243

IUPAC1-(4-cyanophenyl)-N-methyl-N-(2-methylpropyl)methanesulfonamide
SMILESCC(C)CN(C)S(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C13H18N2O2S/c1-11(2)9-15(3)18(16,17)10-13-6-4-12(8-14)5-7-13/h4-7,11H,9-10H2,1-3H3
InChIKeyBWBYXSJJYFLDSV-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.98
Rot. Bonds5

About 1-(4-cyanophenyl)-N-methyl-N-(2-methylpropyl)methanesulfonamide

1-(4-cyanophenyl)-N-methyl-N-(2-methylpropyl)methanesulfonamide (PubChem CID 43272243) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-methyl-N-(2-methylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-methyl-N-(2-methylpropyl)methanesulfonamide
PubChem CID43272243
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name1-(4-cyanophenyl)-N-methyl-N-(2-methylpropyl)methanesulfonamide
SMILESCC(C)CN(C)S(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C13H18N2O2S/c1-11(2)9-15(3)18(16,17)10-13-6-4-12(8-14)5-7-13/h4-7,11H,9-10H2,1-3H3
InChIKeyBWBYXSJJYFLDSV-UHFFFAOYSA-N
XLogP1.98
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Cyanophenyl)methanesulfonyl chloride
CID 15480555
(4-Cyanophenyl)methanesulfonamide
CID 7131562
1-(4-Cyanophenyl)ethanesulfonamide
CID 17842976
N-[3-(dimethylamino)propyl]-1-(4-methylphenyl)methanesulfonamide
CID 17611023
2-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 30325767
N,N-dimethyl-3-[(4-methylphenyl)methylsulfonyl]propan-1-amine
CID 76321251
Benzonitrile, 4-[2-(methylsulfonyl)ethenyl]-
CID 5371660
N,N-diethyl-1-phenylmethanesulfonamide
CID 279679
N-butyl-N-ethyl-1-phenylmethanesulfonamide
CID 2164675
1-(4-cyanophenyl)-N-isopropylmethanesulfonamide
CID 9167352
N,N-diethyl-2-phenylethene-1-sulfonamide
CID 5369397
N-(cyanomethyl)-1-(3-fluorophenyl)-N-methylmethanesulfonamide
CID 15616001

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-methyl-N-(2-methylpropyl)methanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-methyl-N-(2-methylpropyl)methanesulfonamide (CID 43272243) is 1-(4-cyanophenyl)-N-methyl-N-(2-methylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-methyl-N-(2-methylpropyl)methanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-methyl-N-(2-methylpropyl)methanesulfonamide is CC(C)CN(C)S(=O)(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-N-methyl-N-(2-methylpropyl)methanesulfonamide?
The InChIKey is BWBYXSJJYFLDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-11(2)9-15(3)18(16,17)10-13-6-4-12(8-14)5-7-13/h4-7,11H,9-10H2,1-3H3.
What are the key properties of 1-(4-cyanophenyl)-N-methyl-N-(2-methylpropyl)methanesulfonamide?
1-(4-cyanophenyl)-N-methyl-N-(2-methylpropyl)methanesulfonamide has a molecular weight of 266.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-methyl-N-(2-methylpropyl)methanesulfonamide is sourced from PubChem (CID 43272243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).