2-[2-[(2-methylphenyl)methylsulfinyl]ethyl]cyclopentan-1-amine

C15H23NOS — CID 79581971

IUPAC2-[2-[(2-methylphenyl)methylsulfinyl]ethyl]cyclopentan-1-amine
SMILESCc1ccccc1CS(=O)CCC1CCCC1N
InChIInChI=1S/C15H23NOS/c1-12-5-2-3-6-14(12)11-18(17)10-9-13-7-4-8-15(13)16/h2-3,5-6,13,15H,4,7-11,16H2,1H3
InChIKeyAOOATCMKBSVQPR-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.76
Rot. Bonds5

About 2-[2-[(2-methylphenyl)methylsulfinyl]ethyl]cyclopentan-1-amine

2-[2-[(2-methylphenyl)methylsulfinyl]ethyl]cyclopentan-1-amine (PubChem CID 79581971) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-[2-[(2-methylphenyl)methylsulfinyl]ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-[(2-methylphenyl)methylsulfinyl]ethyl]cyclopentan-1-amine
PubChem CID79581971
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name2-[2-[(2-methylphenyl)methylsulfinyl]ethyl]cyclopentan-1-amine
SMILESCc1ccccc1CS(=O)CCC1CCCC1N
InChIInChI=1S/C15H23NOS/c1-12-5-2-3-6-14(12)11-18(17)10-9-13-7-4-8-15(13)16/h2-3,5-6,13,15H,4,7-11,16H2,1H3
InChIKeyAOOATCMKBSVQPR-UHFFFAOYSA-N
XLogP2.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]cyclopentan-1-amine
CID 103290288
2-[2-[(2-methylphenyl)methylsulfonyl]ethyl]cyclopentan-1-amine
CID 79581814
2-[(2-methylphenyl)methylsulfinyl]ethanamine
CID 62769461
[2-[(2-methylphenyl)methylsulfinyl]cyclopentyl]methanamine
CID 81333753
2-[3-[(2-methylphenyl)methylsulfinyl]propyl]pyrrolidine
CID 112741759
2-[2-(2,4-dimethylphenyl)sulfinylethyl]cyclopentan-1-amine
CID 79582053
2-[2-(2-fluorophenyl)sulfinylethyl]cyclopentan-1-amine
CID 79581435
2-[2-(2-methylphenyl)sulfonylethyl]cyclopentan-1-amine
CID 79581498
5-[(2-methylphenyl)methylsulfinyl]pentan-2-amine
CID 64659388
1-methyl-2-(3-phenylpropylsulfinylmethyl)benzene
CID 91641452
1-[(2-methylphenyl)methylsulfinyl]propan-2-amine
CID 64659194
4-ethyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine
CID 64658995

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylphenyl)methylsulfinyl]ethyl]cyclopentan-1-amine?
The IUPAC name of 2-[2-[(2-methylphenyl)methylsulfinyl]ethyl]cyclopentan-1-amine (CID 79581971) is 2-[2-[(2-methylphenyl)methylsulfinyl]ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[2-[(2-methylphenyl)methylsulfinyl]ethyl]cyclopentan-1-amine?
The canonical SMILES for 2-[2-[(2-methylphenyl)methylsulfinyl]ethyl]cyclopentan-1-amine is Cc1ccccc1CS(=O)CCC1CCCC1N.
What is the InChIKey of 2-[2-[(2-methylphenyl)methylsulfinyl]ethyl]cyclopentan-1-amine?
The InChIKey is AOOATCMKBSVQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-12-5-2-3-6-14(12)11-18(17)10-9-13-7-4-8-15(13)16/h2-3,5-6,13,15H,4,7-11,16H2,1H3.
What are the key properties of 2-[2-[(2-methylphenyl)methylsulfinyl]ethyl]cyclopentan-1-amine?
2-[2-[(2-methylphenyl)methylsulfinyl]ethyl]cyclopentan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylphenyl)methylsulfinyl]ethyl]cyclopentan-1-amine is sourced from PubChem (CID 79581971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).