2-[2-(2,4-dimethylphenyl)sulfinylethyl]cyclopentan-1-amine

C15H23NOS — CID 79582053

IUPAC2-[2-(2,4-dimethylphenyl)sulfinylethyl]cyclopentan-1-amine
SMILESCc1ccc(S(=O)CCC2CCCC2N)c(C)c1
InChIInChI=1S/C15H23NOS/c1-11-6-7-15(12(2)10-11)18(17)9-8-13-4-3-5-14(13)16/h6-7,10,13-14H,3-5,8-9,16H2,1-2H3
InChIKeyTXQBJFKNWBMPQS-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.93
Rot. Bonds4

About 2-[2-(2,4-dimethylphenyl)sulfinylethyl]cyclopentan-1-amine

2-[2-(2,4-dimethylphenyl)sulfinylethyl]cyclopentan-1-amine (PubChem CID 79582053) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylphenyl)sulfinylethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(2,4-dimethylphenyl)sulfinylethyl]cyclopentan-1-amine
PubChem CID79582053
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name2-[2-(2,4-dimethylphenyl)sulfinylethyl]cyclopentan-1-amine
SMILESCc1ccc(S(=O)CCC2CCCC2N)c(C)c1
InChIInChI=1S/C15H23NOS/c1-11-6-7-15(12(2)10-11)18(17)9-8-13-4-3-5-14(13)16/h6-7,10,13-14H,3-5,8-9,16H2,1-2H3
InChIKeyTXQBJFKNWBMPQS-UHFFFAOYSA-N
XLogP2.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylphenyl)sulfinylethyl]cyclopentan-1-amine?
The IUPAC name of 2-[2-(2,4-dimethylphenyl)sulfinylethyl]cyclopentan-1-amine (CID 79582053) is 2-[2-(2,4-dimethylphenyl)sulfinylethyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[2-(2,4-dimethylphenyl)sulfinylethyl]cyclopentan-1-amine?
The canonical SMILES for 2-[2-(2,4-dimethylphenyl)sulfinylethyl]cyclopentan-1-amine is Cc1ccc(S(=O)CCC2CCCC2N)c(C)c1.
What is the InChIKey of 2-[2-(2,4-dimethylphenyl)sulfinylethyl]cyclopentan-1-amine?
The InChIKey is TXQBJFKNWBMPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-11-6-7-15(12(2)10-11)18(17)9-8-13-4-3-5-14(13)16/h6-7,10,13-14H,3-5,8-9,16H2,1-2H3.
What are the key properties of 2-[2-(2,4-dimethylphenyl)sulfinylethyl]cyclopentan-1-amine?
2-[2-(2,4-dimethylphenyl)sulfinylethyl]cyclopentan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylphenyl)sulfinylethyl]cyclopentan-1-amine is sourced from PubChem (CID 79582053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).