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'}

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Related Compounds

2-methyl-5-(3-methylcyclohexyl)sulfanyl-2-(propylamino)pentanenitrile
CID 55111275
5-(3-hydroxy-2-methylpropyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 66104311
6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 116535437
5-cyclohexylsulfanyl-2-ethyl-2-(propylamino)pentanenitrile
CID 106805261
6-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 62860671
3-cyclopentylsulfanyl-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63907237
6-(3,4-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 79184283
2-methyl-2-(propan-2-ylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
CID 83062285
5-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 62882211
6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 64522812
2-methyl-4-(oxolan-2-ylmethylsulfanyl)-2-(propan-2-ylamino)butanenitrile
CID 106495503
5-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 55157283

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).