2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine

C11H17NS2 — CID 79573302

IUPAC2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine
SMILESNC1CCCC1CCSc1cccs1
InChIInChI=1S/C11H17NS2/c12-10-4-1-3-9(10)6-8-14-11-5-2-7-13-11/h2,5,7,9-10H,1,3-4,6,8,12H2
InChIKeyYQYAXSMLTBFTCD-UHFFFAOYSA-N
MW227.40 g/mol
LogP3.36
Rot. Bonds4

About 2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine

2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine (PubChem CID 79573302) has the molecular formula C11H17NS2 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine
PubChem CID79573302
Molecular FormulaC11H17NS2
Molecular Weight227.40 g/mol
Exact Mass227.08
IUPAC Name2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine
SMILESNC1CCCC1CCSc1cccs1
InChIInChI=1S/C11H17NS2/c12-10-4-1-3-9(10)6-8-14-11-5-2-7-13-11/h2,5,7,9-10H,1,3-4,6,8,12H2
InChIKeyYQYAXSMLTBFTCD-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine?
The IUPAC name of 2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine (CID 79573302) is 2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine.
What is the SMILES notation for 2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine?
The canonical SMILES for 2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine is NC1CCCC1CCSc1cccs1.
What is the InChIKey of 2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine?
The InChIKey is YQYAXSMLTBFTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS2/c12-10-4-1-3-9(10)6-8-14-11-5-2-7-13-11/h2,5,7,9-10H,1,3-4,6,8,12H2.
What are the key properties of 2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine?
2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine is sourced from PubChem (CID 79573302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).