5-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentanenitrile

C15H26N2S — CID 55177540

IUPAC5-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentanenitrile
SMILESCC(C#N)(CCCSCC1CCCC1)NC1CC1
InChIInChI=1S/C15H26N2S/c1-15(12-16,17-14-7-8-14)9-4-10-18-11-13-5-2-3-6-13/h13-14,17H,2-11H2,1H3
InChIKeyADGORQVKYBJWHI-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.72
Rot. Bonds8

About 5-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentanenitrile

5-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentanenitrile (PubChem CID 55177540) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 5-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentanenitrile.

Molecular Properties

Compound Name5-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentanenitrile
PubChem CID55177540
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name5-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentanenitrile
SMILESCC(C#N)(CCCSCC1CCCC1)NC1CC1
InChIInChI=1S/C15H26N2S/c1-15(12-16,17-14-7-8-14)9-4-10-18-11-13-5-2-3-6-13/h13-14,17H,2-11H2,1H3
InChIKeyADGORQVKYBJWHI-UHFFFAOYSA-N
XLogP3.72
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.72
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 5-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentanenitrile?
The IUPAC name of 5-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentanenitrile (CID 55177540) is 5-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentanenitrile.
What is the SMILES notation for 5-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentanenitrile?
The canonical SMILES for 5-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentanenitrile is CC(C#N)(CCCSCC1CCCC1)NC1CC1.
What is the InChIKey of 5-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentanenitrile?
The InChIKey is ADGORQVKYBJWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-15(12-16,17-14-7-8-14)9-4-10-18-11-13-5-2-3-6-13/h13-14,17H,2-11H2,1H3.
What are the key properties of 5-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentanenitrile?
5-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentanenitrile has a molecular weight of 266.45 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentanenitrile is sourced from PubChem (CID 55177540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).