2-bromo-N-(4-methylcyclohexyl)-4-(methylsulfonimidoyl)aniline

C14H21BrN2OS — CID 135226831

IUPAC2-bromo-N-(4-methylcyclohexyl)-4-(methylsulfonimidoyl)aniline
SMILES[H]N=S(C)(=O)c1ccc(NC2CCC(C)CC2)c(Br)c1
InChIInChI=1S/C14H21BrN2OS/c1-10-3-5-11(6-4-10)17-14-8-7-12(9-13(14)15)19(2,16)18/h7-11,16-17H,3-6H2,1-2H3
InChIKeyWXAZFVRQQOSLKS-UHFFFAOYSA-N
MW345.31 g/mol
LogP4.48
Rot. Bonds3

About 2-bromo-N-(4-methylcyclohexyl)-4-(methylsulfonimidoyl)aniline

2-bromo-N-(4-methylcyclohexyl)-4-(methylsulfonimidoyl)aniline (PubChem CID 135226831) has the molecular formula C14H21BrN2OS and a molecular weight of 345.31 g/mol. Its IUPAC name is 2-bromo-N-(4-methylcyclohexyl)-4-(methylsulfonimidoyl)aniline.

Molecular Properties

Compound Name2-bromo-N-(4-methylcyclohexyl)-4-(methylsulfonimidoyl)aniline
PubChem CID135226831
Molecular FormulaC14H21BrN2OS
Molecular Weight345.31 g/mol
Exact Mass344.06
IUPAC Name2-bromo-N-(4-methylcyclohexyl)-4-(methylsulfonimidoyl)aniline
SMILES[H]N=S(C)(=O)c1ccc(NC2CCC(C)CC2)c(Br)c1
InChIInChI=1S/C14H21BrN2OS/c1-10-3-5-11(6-4-10)17-14-8-7-12(9-13(14)15)19(2,16)18/h7-11,16-17H,3-6H2,1-2H3
InChIKeyWXAZFVRQQOSLKS-UHFFFAOYSA-N
XLogP4.48
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-[(1-chlorocyclopropyl)sulfonimidoyl]-N-(4-methylcyclohexyl)aniline
CID 135226972
1-N-(4-methylcyclohexyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43448004
N-(2,4-dibromophenyl)-4-methylcycloheptan-1-amine
CID 65080810
4-methoxy-3-[(4-methylcycloheptyl)amino]benzenesulfonamide
CID 65080223
2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43216879
4-methyl-N-(4-methylsulfonylphenyl)cycloheptan-1-amine
CID 65081108
2-bromo-4-(methylsulfonimidoyl)phenol
CID 129043458
(3-bromo-4-fluorophenyl)-imino-methyl-oxo-λ6-sulfane
CID 135226829
N-(4-methylcyclohexyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-amine
CID 46238878
5-bromo-6-[(4-methylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 65080019
2-bromo-N-(3-methylcyclopentyl)aniline
CID 64501645
2-chloro-N-(4-methylcyclohexyl)-4-nitroaniline
CID 43081290

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-methylcyclohexyl)-4-(methylsulfonimidoyl)aniline?
The IUPAC name of 2-bromo-N-(4-methylcyclohexyl)-4-(methylsulfonimidoyl)aniline (CID 135226831) is 2-bromo-N-(4-methylcyclohexyl)-4-(methylsulfonimidoyl)aniline.
What is the SMILES notation for 2-bromo-N-(4-methylcyclohexyl)-4-(methylsulfonimidoyl)aniline?
The canonical SMILES for 2-bromo-N-(4-methylcyclohexyl)-4-(methylsulfonimidoyl)aniline is [H]N=S(C)(=O)c1ccc(NC2CCC(C)CC2)c(Br)c1.
What is the InChIKey of 2-bromo-N-(4-methylcyclohexyl)-4-(methylsulfonimidoyl)aniline?
The InChIKey is WXAZFVRQQOSLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2OS/c1-10-3-5-11(6-4-10)17-14-8-7-12(9-13(14)15)19(2,16)18/h7-11,16-17H,3-6H2,1-2H3.
What are the key properties of 2-bromo-N-(4-methylcyclohexyl)-4-(methylsulfonimidoyl)aniline?
2-bromo-N-(4-methylcyclohexyl)-4-(methylsulfonimidoyl)aniline has a molecular weight of 345.31 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-methylcyclohexyl)-4-(methylsulfonimidoyl)aniline is sourced from PubChem (CID 135226831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).