2-(2-methylphenyl)sulfanyl-N-propylcyclopentan-1-amine

C15H23NS — CID 64649672

IUPAC2-(2-methylphenyl)sulfanyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1Sc1ccccc1C
InChIInChI=1S/C15H23NS/c1-3-11-16-13-8-6-10-15(13)17-14-9-5-4-7-12(14)2/h4-5,7,9,13,15-16H,3,6,8,10-11H2,1-2H3
InChIKeyMZSCAJBCLYXIIC-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.01
Rot. Bonds5

About 2-(2-methylphenyl)sulfanyl-N-propylcyclopentan-1-amine

2-(2-methylphenyl)sulfanyl-N-propylcyclopentan-1-amine (PubChem CID 64649672) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfanyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfanyl-N-propylcyclopentan-1-amine
PubChem CID64649672
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name2-(2-methylphenyl)sulfanyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1Sc1ccccc1C
InChIInChI=1S/C15H23NS/c1-3-11-16-13-8-6-10-15(13)17-14-9-5-4-7-12(14)2/h4-5,7,9,13,15-16H,3,6,8,10-11H2,1-2H3
InChIKeyMZSCAJBCLYXIIC-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfanyl-N-propylcyclopentan-1-amine?
The IUPAC name of 2-(2-methylphenyl)sulfanyl-N-propylcyclopentan-1-amine (CID 64649672) is 2-(2-methylphenyl)sulfanyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-(2-methylphenyl)sulfanyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-(2-methylphenyl)sulfanyl-N-propylcyclopentan-1-amine is CCCNC1CCCC1Sc1ccccc1C.
What is the InChIKey of 2-(2-methylphenyl)sulfanyl-N-propylcyclopentan-1-amine?
The InChIKey is MZSCAJBCLYXIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-3-11-16-13-8-6-10-15(13)17-14-9-5-4-7-12(14)2/h4-5,7,9,13,15-16H,3,6,8,10-11H2,1-2H3.
What are the key properties of 2-(2-methylphenyl)sulfanyl-N-propylcyclopentan-1-amine?
2-(2-methylphenyl)sulfanyl-N-propylcyclopentan-1-amine has a molecular weight of 249.42 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfanyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 64649672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).