2-(cyclopentylamino)-5-methylsulfanylpentanenitrile

C11H20N2S — CID 103089212

IUPAC2-(cyclopentylamino)-5-methylsulfanylpentanenitrile
SMILESCSCCCC(C#N)NC1CCCC1
InChIInChI=1S/C11H20N2S/c1-14-8-4-7-11(9-12)13-10-5-2-3-6-10/h10-11,13H,2-8H2,1H3
InChIKeyCNKOJBLODCDHTM-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.55
Rot. Bonds6

About 2-(cyclopentylamino)-5-methylsulfanylpentanenitrile

2-(cyclopentylamino)-5-methylsulfanylpentanenitrile (PubChem CID 103089212) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-(cyclopentylamino)-5-methylsulfanylpentanenitrile.

Molecular Properties

Compound Name2-(cyclopentylamino)-5-methylsulfanylpentanenitrile
PubChem CID103089212
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2-(cyclopentylamino)-5-methylsulfanylpentanenitrile
SMILESCSCCCC(C#N)NC1CCCC1
InChIInChI=1S/C11H20N2S/c1-14-8-4-7-11(9-12)13-10-5-2-3-6-10/h10-11,13H,2-8H2,1H3
InChIKeyCNKOJBLODCDHTM-UHFFFAOYSA-N
XLogP2.55
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-5-methylsulfanylpentanenitrile?
The IUPAC name of 2-(cyclopentylamino)-5-methylsulfanylpentanenitrile (CID 103089212) is 2-(cyclopentylamino)-5-methylsulfanylpentanenitrile.
What is the SMILES notation for 2-(cyclopentylamino)-5-methylsulfanylpentanenitrile?
The canonical SMILES for 2-(cyclopentylamino)-5-methylsulfanylpentanenitrile is CSCCCC(C#N)NC1CCCC1.
What is the InChIKey of 2-(cyclopentylamino)-5-methylsulfanylpentanenitrile?
The InChIKey is CNKOJBLODCDHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-14-8-4-7-11(9-12)13-10-5-2-3-6-10/h10-11,13H,2-8H2,1H3.
What are the key properties of 2-(cyclopentylamino)-5-methylsulfanylpentanenitrile?
2-(cyclopentylamino)-5-methylsulfanylpentanenitrile has a molecular weight of 212.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-5-methylsulfanylpentanenitrile is sourced from PubChem (CID 103089212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).