1-(4-cyanophenyl)-N-(2,2-dimethylbutyl)methanesulfonamide

C14H20N2O2S — CID 103461770

IUPAC1-(4-cyanophenyl)-N-(2,2-dimethylbutyl)methanesulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H20N2O2S/c1-4-14(2,3)11-16-19(17,18)10-13-7-5-12(9-15)6-8-13/h5-8,16H,4,10-11H2,1-3H3
InChIKeyGOFAMBKASYRHFX-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.41
Rot. Bonds6

About 1-(4-cyanophenyl)-N-(2,2-dimethylbutyl)methanesulfonamide

1-(4-cyanophenyl)-N-(2,2-dimethylbutyl)methanesulfonamide (PubChem CID 103461770) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-(2,2-dimethylbutyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-(2,2-dimethylbutyl)methanesulfonamide
PubChem CID103461770
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name1-(4-cyanophenyl)-N-(2,2-dimethylbutyl)methanesulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H20N2O2S/c1-4-14(2,3)11-16-19(17,18)10-13-7-5-12(9-15)6-8-13/h5-8,16H,4,10-11H2,1-3H3
InChIKeyGOFAMBKASYRHFX-UHFFFAOYSA-N
XLogP2.41
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyanophenyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)methanesulfonamide
CID 106252836
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide
CID 115307985
1-(3-cyanophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)methanesulfonamide
CID 115363084
1-(4-cyanophenyl)-N-(3-methylbut-2-enyl)methanesulfonamide
CID 106189115
4-[(2-amino-2-methylpropyl)sulfonylmethyl]benzonitrile
CID 81188216
2-[(4-cyanophenyl)methylsulfonylamino]-3,3-dimethylbutanoic acid
CID 43468038
N-but-3-enyl-1-(4-cyanophenyl)methanesulfonamide
CID 113465544
N-(2,2-dimethylbutyl)propane-1-sulfonamide
CID 103465142
1-(4-cyanophenyl)-N-[(6-methyl-3-pyridinyl)methyl]methanesulfonamide
CID 61067577
1-(4-cyanophenyl)-N-(1-methylpyrazol-3-yl)methanesulfonamide
CID 60703867
N-(1-aminopropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide
CID 63731343
N-(2-cyanobutan-2-yl)-1-phenylmethanesulfonamide
CID 61123309

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-(2,2-dimethylbutyl)methanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-(2,2-dimethylbutyl)methanesulfonamide (CID 103461770) is 1-(4-cyanophenyl)-N-(2,2-dimethylbutyl)methanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-(2,2-dimethylbutyl)methanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-(2,2-dimethylbutyl)methanesulfonamide is CCC(C)(C)CNS(=O)(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-N-(2,2-dimethylbutyl)methanesulfonamide?
The InChIKey is GOFAMBKASYRHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-4-14(2,3)11-16-19(17,18)10-13-7-5-12(9-15)6-8-13/h5-8,16H,4,10-11H2,1-3H3.
What are the key properties of 1-(4-cyanophenyl)-N-(2,2-dimethylbutyl)methanesulfonamide?
1-(4-cyanophenyl)-N-(2,2-dimethylbutyl)methanesulfonamide has a molecular weight of 280.39 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-(2,2-dimethylbutyl)methanesulfonamide is sourced from PubChem (CID 103461770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).