N-(2-cyanopropan-2-yl)-1-(2-methylphenyl)methanesulfonamide

C12H16N2O2S — CID 110406269

IUPACN-(2-cyanopropan-2-yl)-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NC(C)(C)C#N
InChIInChI=1S/C12H16N2O2S/c1-10-6-4-5-7-11(10)8-17(15,16)14-12(2,3)9-13/h4-7,14H,8H2,1-3H3
InChIKeyGUJXDAIWNPGQOP-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.72
Rot. Bonds4

About N-(2-cyanopropan-2-yl)-1-(2-methylphenyl)methanesulfonamide

N-(2-cyanopropan-2-yl)-1-(2-methylphenyl)methanesulfonamide (PubChem CID 110406269) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-1-(2-methylphenyl)methanesulfonamide
PubChem CID110406269
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-(2-cyanopropan-2-yl)-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NC(C)(C)C#N
InChIInChI=1S/C12H16N2O2S/c1-10-6-4-5-7-11(10)8-17(15,16)14-12(2,3)9-13/h4-7,14H,8H2,1-3H3
InChIKeyGUJXDAIWNPGQOP-UHFFFAOYSA-N
XLogP1.72
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanopropan-2-yl)-2-phenylethanesulfonamide
CID 79017328
N-methyl-2-[(2-methylphenyl)methylsulfonylamino]benzenesulfonamide
CID 167899104
1-(2-cyanophenyl)-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide
CID 60681191
N-(2-cyanopropan-2-yl)propane-1-sulfonamide
CID 61127904
(2-methylphenyl)methanesulfonamide;hydrochloride
CID 70129297
N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110716508
N-(2-cyanopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 61127713
N-[(4-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 38005786
N-(2-cyanobutan-2-yl)-1-phenylmethanesulfonamide
CID 61123309
2,2-dimethyl-3-[(2-methylphenyl)methylamino]propanenitrile
CID 104587184
2-[(2-methylphenyl)methylsulfonylamino]-N-prop-2-ynylacetamide
CID 56787533
N-[(5-methylfuran-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110731718

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-1-(2-methylphenyl)methanesulfonamide (CID 110406269) is N-(2-cyanopropan-2-yl)-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-1-(2-methylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)NC(C)(C)C#N.
What is the InChIKey of N-(2-cyanopropan-2-yl)-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is GUJXDAIWNPGQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-10-6-4-5-7-11(10)8-17(15,16)14-12(2,3)9-13/h4-7,14H,8H2,1-3H3.
What are the key properties of N-(2-cyanopropan-2-yl)-1-(2-methylphenyl)methanesulfonamide?
N-(2-cyanopropan-2-yl)-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 252.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110406269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).