2-(cyclopentylmethylsulfanyl)cyclopentan-1-amine

C11H21NS — CID 64625788

IUPAC2-(cyclopentylmethylsulfanyl)cyclopentan-1-amine
SMILESNC1CCCC1SCC1CCCC1
InChIInChI=1S/C11H21NS/c12-10-6-3-7-11(10)13-8-9-4-1-2-5-9/h9-11H,1-8,12H2
InChIKeyPWRMJPAXKPPCRT-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.79
Rot. Bonds3

About 2-(cyclopentylmethylsulfanyl)cyclopentan-1-amine

2-(cyclopentylmethylsulfanyl)cyclopentan-1-amine (PubChem CID 64625788) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfanyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfanyl)cyclopentan-1-amine
PubChem CID64625788
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name2-(cyclopentylmethylsulfanyl)cyclopentan-1-amine
SMILESNC1CCCC1SCC1CCCC1
InChIInChI=1S/C11H21NS/c12-10-6-3-7-11(10)13-8-9-4-1-2-5-9/h9-11H,1-8,12H2
InChIKeyPWRMJPAXKPPCRT-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfanyl)cyclopentan-1-amine?
The IUPAC name of 2-(cyclopentylmethylsulfanyl)cyclopentan-1-amine (CID 64625788) is 2-(cyclopentylmethylsulfanyl)cyclopentan-1-amine.
What is the SMILES notation for 2-(cyclopentylmethylsulfanyl)cyclopentan-1-amine?
The canonical SMILES for 2-(cyclopentylmethylsulfanyl)cyclopentan-1-amine is NC1CCCC1SCC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethylsulfanyl)cyclopentan-1-amine?
The InChIKey is PWRMJPAXKPPCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c12-10-6-3-7-11(10)13-8-9-4-1-2-5-9/h9-11H,1-8,12H2.
What are the key properties of 2-(cyclopentylmethylsulfanyl)cyclopentan-1-amine?
2-(cyclopentylmethylsulfanyl)cyclopentan-1-amine has a molecular weight of 199.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfanyl)cyclopentan-1-amine is sourced from PubChem (CID 64625788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).