4-amino-2-cyano-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide

C11H15N3O2S2 — CID 112656535

IUPAC4-amino-2-cyano-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCN(C)S(=O)(=O)c1ccc(N)cc1C#N
InChIInChI=1S/C11H15N3O2S2/c1-14(5-6-17-2)18(15,16)11-4-3-10(13)7-9(11)8-12/h3-4,7H,5-6,13H2,1-2H3
InChIKeyZAOWMRSHOLKZGG-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.12
Rot. Bonds5

About 4-amino-2-cyano-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide

4-amino-2-cyano-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide (PubChem CID 112656535) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-amino-2-cyano-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-cyano-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
PubChem CID112656535
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC Name4-amino-2-cyano-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCN(C)S(=O)(=O)c1ccc(N)cc1C#N
InChIInChI=1S/C11H15N3O2S2/c1-14(5-6-17-2)18(15,16)11-4-3-10(13)7-9(11)8-12/h3-4,7H,5-6,13H2,1-2H3
InChIKeyZAOWMRSHOLKZGG-UHFFFAOYSA-N
XLogP1.12
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-Methanesulfonyl-3-methylaniline
CID 825918
5-Aminotoluene-2-sulphonamide
CID 3023605
5-Amino-2-(4-aminophenyl)sulfonylbenzonitrile
CID 19912910
4-amino-N,N,2-trimethylbenzene-1-sulfonamide
CID 43257972
2-cyano-N-phenylbenzene-1-sulfonamide
CID 8891631
4-amino-N,2-dimethylbenzene-1-sulfonamide
CID 43257018
3-Amino-2-methanesulfonylbenzonitrile
CID 131312208
5-amino-1-methyl-3H-1lambda6,2-benzothiazol-1-one
CID 155858354
Propylsulphanilamide
CID 21390682
4-Cyclopropylsulfonyl-3-(methylaminomethyl)aniline
CID 117739450
Aminomethylsulfanilamid
CID 123992027
4-(Dimethylsulfamoyl)-3-(trifluoromethyl)aniline
CID 20376640

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyano-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-cyano-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide (CID 112656535) is 4-amino-2-cyano-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-cyano-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-cyano-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide is CSCCN(C)S(=O)(=O)c1ccc(N)cc1C#N.
What is the InChIKey of 4-amino-2-cyano-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The InChIKey is ZAOWMRSHOLKZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c1-14(5-6-17-2)18(15,16)11-4-3-10(13)7-9(11)8-12/h3-4,7H,5-6,13H2,1-2H3.
What are the key properties of 4-amino-2-cyano-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
4-amino-2-cyano-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide has a molecular weight of 285.39 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyano-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide is sourced from PubChem (CID 112656535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).