3-(2,4-dimethylphenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine

C15H23NO2S — CID 64904691

IUPAC3-(2,4-dimethylphenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(S(=O)(=O)c2ccc(C)cc2C)C1C
InChIInChI=1S/C15H23NO2S/c1-10-5-7-14(11(2)9-10)19(17,18)15-8-6-13(16-4)12(15)3/h5,7,9,12-13,15-16H,6,8H2,1-4H3
InChIKeyCRUWNZUEROMFAQ-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.46
Rot. Bonds3

About 3-(2,4-dimethylphenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine

3-(2,4-dimethylphenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine (PubChem CID 64904691) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine
PubChem CID64904691
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name3-(2,4-dimethylphenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(S(=O)(=O)c2ccc(C)cc2C)C1C
InChIInChI=1S/C15H23NO2S/c1-10-5-7-14(11(2)9-10)19(17,18)15-8-6-13(16-4)12(15)3/h5,7,9,12-13,15-16H,6,8H2,1-4H3
InChIKeyCRUWNZUEROMFAQ-UHFFFAOYSA-N
XLogP2.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethylphenyl)sulfonyl-2-methylcyclopentan-1-ol
CID 106585470
2-(2,4-dimethylphenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine
CID 64752881
2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-amine
CID 64639437
2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-ol
CID 106585473
2-(2,4-dimethylphenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine
CID 64640842
4-(2,4-dimethylphenyl)sulfonylcyclohexan-1-one
CID 117037250
N-cyclododecyl-2,4-dimethylbenzenesulfonamide
CID 19681945
2,4-dimethyl-N-[(2R,3R)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515702
N-(1-cyclopropylethyl)-2,4-dimethylbenzenesulfonamide
CID 84843581
N-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide
CID 106367713
N-cyclopentyloxy-2,4-dimethylbenzenesulfonamide
CID 83228380
N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide
CID 103835923

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine?
The IUPAC name of 3-(2,4-dimethylphenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine (CID 64904691) is 3-(2,4-dimethylphenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-(2,4-dimethylphenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-(2,4-dimethylphenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine is CNC1CCC(S(=O)(=O)c2ccc(C)cc2C)C1C.
What is the InChIKey of 3-(2,4-dimethylphenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine?
The InChIKey is CRUWNZUEROMFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-10-5-7-14(11(2)9-10)19(17,18)15-8-6-13(16-4)12(15)3/h5,7,9,12-13,15-16H,6,8H2,1-4H3.
What are the key properties of 3-(2,4-dimethylphenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine?
3-(2,4-dimethylphenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 64904691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).