[2-[(2-methylphenyl)methylsulfinyl]cyclopentyl]methanamine

C14H21NOS — CID 81333753

IUPAC[2-[(2-methylphenyl)methylsulfinyl]cyclopentyl]methanamine
SMILESCc1ccccc1CS(=O)C1CCCC1CN
InChIInChI=1S/C14H21NOS/c1-11-5-2-3-6-13(11)10-17(16)14-8-4-7-12(14)9-15/h2-3,5-6,12,14H,4,7-10,15H2,1H3
InChIKeyZUZOEIMFKWLSDX-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.37
Rot. Bonds4

About [2-[(2-methylphenyl)methylsulfinyl]cyclopentyl]methanamine

[2-[(2-methylphenyl)methylsulfinyl]cyclopentyl]methanamine (PubChem CID 81333753) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is [2-[(2-methylphenyl)methylsulfinyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[(2-methylphenyl)methylsulfinyl]cyclopentyl]methanamine
PubChem CID81333753
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name[2-[(2-methylphenyl)methylsulfinyl]cyclopentyl]methanamine
SMILESCc1ccccc1CS(=O)C1CCCC1CN
InChIInChI=1S/C14H21NOS/c1-11-5-2-3-6-13(11)10-17(16)14-8-4-7-12(14)9-15/h2-3,5-6,12,14H,4,7-10,15H2,1H3
InChIKeyZUZOEIMFKWLSDX-UHFFFAOYSA-N
XLogP2.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-[(2-methylphenyl)methylsulfinyl]cyclopentyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine
CID 64657822
[2-(2-methylphenyl)sulfinylcycloheptyl]methanamine
CID 81328475
4-ethyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine
CID 64658995
2-[2-[(2-methylphenyl)methylsulfinyl]ethyl]cyclopentan-1-amine
CID 79581971
2-(aminomethyl)-N-[2-(2-methylphenyl)ethyl]cyclopentan-1-amine
CID 79763759
3-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-one
CID 64724919
N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-amine
CID 79863138
2-[(2-methylphenyl)methylsulfinyl]ethanamine
CID 62769461
[2-(2,5-dimethylphenyl)sulfinylcyclohexyl]methanamine
CID 81328814
[2-(2-methylphenoxy)cyclopentyl]methanamine
CID 43293964
2-[2-[(2-methylphenyl)methylsulfonyl]ethyl]cyclopentan-1-amine
CID 79581814
(2-thiophen-2-ylsulfinylcycloheptyl)methanamine
CID 81328024

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylphenyl)methylsulfinyl]cyclopentyl]methanamine?
The IUPAC name of [2-[(2-methylphenyl)methylsulfinyl]cyclopentyl]methanamine (CID 81333753) is [2-[(2-methylphenyl)methylsulfinyl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[(2-methylphenyl)methylsulfinyl]cyclopentyl]methanamine?
The canonical SMILES for [2-[(2-methylphenyl)methylsulfinyl]cyclopentyl]methanamine is Cc1ccccc1CS(=O)C1CCCC1CN.
What is the InChIKey of [2-[(2-methylphenyl)methylsulfinyl]cyclopentyl]methanamine?
The InChIKey is ZUZOEIMFKWLSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11-5-2-3-6-13(11)10-17(16)14-8-4-7-12(14)9-15/h2-3,5-6,12,14H,4,7-10,15H2,1H3.
What are the key properties of [2-[(2-methylphenyl)methylsulfinyl]cyclopentyl]methanamine?
[2-[(2-methylphenyl)methylsulfinyl]cyclopentyl]methanamine has a molecular weight of 251.39 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylphenyl)methylsulfinyl]cyclopentyl]methanamine is sourced from PubChem (CID 81333753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).