N-[cyano-(2-methylphenyl)methyl]methanesulfonamide

C10H12N2O2S — CID 82114947

IUPACN-[cyano-(2-methylphenyl)methyl]methanesulfonamide
SMILESCc1ccccc1C(C#N)NS(C)(=O)=O
InChIInChI=1S/C10H12N2O2S/c1-8-5-3-4-6-9(8)10(7-11)12-15(2,13)14/h3-6,10,12H,1-2H3
InChIKeyAIWDOFUNPZFNRZ-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.11
Rot. Bonds3

About N-[cyano-(2-methylphenyl)methyl]methanesulfonamide

N-[cyano-(2-methylphenyl)methyl]methanesulfonamide (PubChem CID 82114947) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is N-[cyano-(2-methylphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[cyano-(2-methylphenyl)methyl]methanesulfonamide
PubChem CID82114947
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC NameN-[cyano-(2-methylphenyl)methyl]methanesulfonamide
SMILESCc1ccccc1C(C#N)NS(C)(=O)=O
InChIInChI=1S/C10H12N2O2S/c1-8-5-3-4-6-9(8)10(7-11)12-15(2,13)14/h3-6,10,12H,1-2H3
InChIKeyAIWDOFUNPZFNRZ-UHFFFAOYSA-N
XLogP1.11
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyano-(2-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 135070993
N-[cyano-(4-propan-2-ylphenyl)methyl]methanesulfonamide
CID 82119706
2-(benzylamino)-2-(2-methylphenyl)acetonitrile
CID 10490003
(2R)-2-(2-hydroxyanilino)-2-(2-methylphenyl)acetonitrile
CID 100954414
(2S)-N-[(R)-cyano-(2-methylphenyl)methyl]-2-methylbutanamide
CID 95172187
3-[[cyano-(2-methylphenyl)methyl]amino]propanoic acid
CID 84817498
N-[(4-bromophenyl)-cyanomethyl]methanesulfonamide
CID 82124431
2-(cyclopentylamino)-2-(2-methylphenyl)acetonitrile
CID 61002347
N-[cyano-(2-methylphenyl)methyl]-4-fluorobenzamide
CID 82123285
ethyl 2-[[cyano-(2-methylphenyl)methyl]amino]acetate
CID 112500735
(2S)-2-methoxy-2-(2-methylphenyl)acetonitrile
CID 97030932
2-[hydroxy-(2-methylphenyl)methyl]butanenitrile
CID 79136882

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2-methylphenyl)methyl]methanesulfonamide?
The IUPAC name of N-[cyano-(2-methylphenyl)methyl]methanesulfonamide (CID 82114947) is N-[cyano-(2-methylphenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[cyano-(2-methylphenyl)methyl]methanesulfonamide?
The canonical SMILES for N-[cyano-(2-methylphenyl)methyl]methanesulfonamide is Cc1ccccc1C(C#N)NS(C)(=O)=O.
What is the InChIKey of N-[cyano-(2-methylphenyl)methyl]methanesulfonamide?
The InChIKey is AIWDOFUNPZFNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-8-5-3-4-6-9(8)10(7-11)12-15(2,13)14/h3-6,10,12H,1-2H3.
What are the key properties of N-[cyano-(2-methylphenyl)methyl]methanesulfonamide?
N-[cyano-(2-methylphenyl)methyl]methanesulfonamide has a molecular weight of 224.28 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2-methylphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 82114947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).