2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-amine

C14H21NO2S — CID 64639437

IUPAC2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-amine
SMILESCc1ccc(S(=O)(=O)C2CCCCC2N)c(C)c1
InChIInChI=1S/C14H21NO2S/c1-10-7-8-13(11(2)9-10)18(16,17)14-6-4-3-5-12(14)15/h7-9,12,14H,3-6,15H2,1-2H3
InChIKeyRBFXINGJIUGPRL-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.35
Rot. Bonds2

About 2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-amine

2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-amine (PubChem CID 64639437) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-amine
PubChem CID64639437
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-amine
SMILESCc1ccc(S(=O)(=O)C2CCCCC2N)c(C)c1
InChIInChI=1S/C14H21NO2S/c1-10-7-8-13(11(2)9-10)18(16,17)14-6-4-3-5-12(14)15/h7-9,12,14H,3-6,15H2,1-2H3
InChIKeyRBFXINGJIUGPRL-UHFFFAOYSA-N
XLogP2.35
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-ol
CID 106585473
2-(2,4-dimethylphenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine
CID 64640842
3-(2,4-dimethylphenyl)sulfonyl-2-methylcyclopentan-1-ol
CID 106585470
N-cyclododecyl-2,4-dimethylbenzenesulfonamide
CID 19681945
3-(2,4-dimethylphenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine
CID 64904691
4-(2,4-dimethylphenyl)sulfonylcyclohexan-1-one
CID 117037250
2-(2,5-dimethylphenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine
CID 64640641
2-(2,5-dichlorophenyl)sulfonylcyclooctan-1-amine
CID 64638826
2-(4-methylsulfonylphenyl)sulfonylcyclohexan-1-amine
CID 64675519
cyclohexyl 2,4-dimethylbenzenesulfonate
CID 139894293
2-(4-methylsulfonylphenyl)sulfonylcycloheptan-1-amine
CID 64675513
N-(2-aminocyclohexyl)-N,2,5-trimethylbenzenesulfonamide
CID 102639287

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-amine?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-amine (CID 64639437) is 2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-amine?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-amine is Cc1ccc(S(=O)(=O)C2CCCCC2N)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-amine?
The InChIKey is RBFXINGJIUGPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10-7-8-13(11(2)9-10)18(16,17)14-6-4-3-5-12(14)15/h7-9,12,14H,3-6,15H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-amine?
2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-amine is sourced from PubChem (CID 64639437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).