methyl-(4-methylsulfonylphenyl)cyanamide

C9H10N2O2S — CID 117043233

IUPACmethyl-(4-methylsulfonylphenyl)cyanamide
SMILESCN(C#N)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C9H10N2O2S/c1-11(7-10)8-3-5-9(6-4-8)14(2,12)13/h3-6H,1-2H3
InChIKeyGLDDECPDVKGLPD-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.01
Rot. Bonds2

About methyl-(4-methylsulfonylphenyl)cyanamide

methyl-(4-methylsulfonylphenyl)cyanamide (PubChem CID 117043233) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is methyl-(4-methylsulfonylphenyl)cyanamide.

Molecular Properties

Compound Namemethyl-(4-methylsulfonylphenyl)cyanamide
PubChem CID117043233
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Namemethyl-(4-methylsulfonylphenyl)cyanamide
SMILESCN(C#N)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C9H10N2O2S/c1-11(7-10)8-3-5-9(6-4-8)14(2,12)13/h3-6H,1-2H3
InChIKeyGLDDECPDVKGLPD-UHFFFAOYSA-N
XLogP1.01
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-(N-methyl-4-methylsulfonylanilino)acetonitrile
CID 115130886
2-(N-methyl-4-methylsulfonylanilino)propanenitrile
CID 115130040
N,N-diethyl-4-methylsulfonylaniline
CID 145223146
2-(N-methyl-4-methylsulfonylanilino)cyclohexan-1-ol
CID 102635903
methyl N-methyl-N-(4-methylsulfonylphenyl)carbamate
CID 5082622
N-methyl-N-(4-methylsulfonylphenyl)-2-oxoacetamide
CID 115166097
N,N-dimethyl-4-[6-(4-methylsulfonylphenyl)spiro[2.4]hept-5-en-5-yl]aniline
CID 67570933
methyl N-chloro-N'-cyano-N-(4-methylsulfonylphenyl)carbamimidothioate
CID 90021833
N-methyl-N-(4-methylsulfonylphenyl)-2-sulfanylacetamide
CID 115167078
N,N-bis(4-methylsulfonylphenyl)pyrimidin-5-amine
CID 19434385
N-(4-methylsulfonylphenoxy)methanamine
CID 140501519
N-methyl-N-(4-methylsulfonylphenyl)cyclopropanecarboxamide
CID 136579118

Frequently Asked Questions

What is the IUPAC name of methyl-(4-methylsulfonylphenyl)cyanamide?
The IUPAC name of methyl-(4-methylsulfonylphenyl)cyanamide (CID 117043233) is methyl-(4-methylsulfonylphenyl)cyanamide.
What is the SMILES notation for methyl-(4-methylsulfonylphenyl)cyanamide?
The canonical SMILES for methyl-(4-methylsulfonylphenyl)cyanamide is CN(C#N)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of methyl-(4-methylsulfonylphenyl)cyanamide?
The InChIKey is GLDDECPDVKGLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-11(7-10)8-3-5-9(6-4-8)14(2,12)13/h3-6H,1-2H3.
What are the key properties of methyl-(4-methylsulfonylphenyl)cyanamide?
methyl-(4-methylsulfonylphenyl)cyanamide has a molecular weight of 210.26 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(4-methylsulfonylphenyl)cyanamide is sourced from PubChem (CID 117043233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).