5-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanenitrile

C14H26N2S — CID 63115357

IUPAC5-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanenitrile
SMILESCC(C)NC(C)(C#N)CCCSC1CCCC1
InChIInChI=1S/C14H26N2S/c1-12(2)16-14(3,11-15)9-6-10-17-13-7-4-5-8-13/h12-13,16H,4-10H2,1-3H3
InChIKeyZKMQQZPMYPKVND-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.72
Rot. Bonds7

About 5-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanenitrile

5-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanenitrile (PubChem CID 63115357) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 5-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name5-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanenitrile
PubChem CID63115357
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name5-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanenitrile
SMILESCC(C)NC(C)(C#N)CCCSC1CCCC1
InChIInChI=1S/C14H26N2S/c1-12(2)16-14(3,11-15)9-6-10-17-13-7-4-5-8-13/h12-13,16H,4-10H2,1-3H3
InChIKeyZKMQQZPMYPKVND-UHFFFAOYSA-N
XLogP3.72
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 5-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanenitrile (CID 63115357) is 5-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 5-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 5-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanenitrile is CC(C)NC(C)(C#N)CCCSC1CCCC1.
What is the InChIKey of 5-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanenitrile?
The InChIKey is ZKMQQZPMYPKVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-12(2)16-14(3,11-15)9-6-10-17-13-7-4-5-8-13/h12-13,16H,4-10H2,1-3H3.
What are the key properties of 5-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanenitrile?
5-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanenitrile has a molecular weight of 254.44 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 63115357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).