3-cyclopentylsulfanyl-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile

C14H24N2S — CID 63907237

IUPAC3-cyclopentylsulfanyl-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)(CSC1CCCC1)C1CC1
InChIInChI=1S/C14H24N2S/c1-11(2)16-14(9-15,12-7-8-12)10-17-13-5-3-4-6-13/h11-13,16H,3-8,10H2,1-2H3
InChIKeyNKRGLRRRWNQESB-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.33
Rot. Bonds6

About 3-cyclopentylsulfanyl-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile

3-cyclopentylsulfanyl-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile (PubChem CID 63907237) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 3-cyclopentylsulfanyl-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name3-cyclopentylsulfanyl-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
PubChem CID63907237
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name3-cyclopentylsulfanyl-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)(CSC1CCCC1)C1CC1
InChIInChI=1S/C14H24N2S/c1-11(2)16-14(9-15,12-7-8-12)10-17-13-5-3-4-6-13/h11-13,16H,3-8,10H2,1-2H3
InChIKeyNKRGLRRRWNQESB-UHFFFAOYSA-N
XLogP3.33
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propanenitrile
CID 63907007
3-[cyclohexyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63913512
3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63913097
3-cyclopentylsulfanyl-2,2-dimethylpropanenitrile
CID 164656154
2-cyclopropyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propan-2-ylamino)propanenitrile
CID 63906381
2-cyclopropyl-2-(propan-2-ylamino)-3-(1,3-thiazol-2-ylsulfanyl)propanenitrile
CID 63906583
2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanenitrile
CID 79184760
2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanenitrile
CID 63907749
2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile
CID 82006690
5-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 63115357
2-cyclopropyl-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(propan-2-ylamino)propanenitrile
CID 63907276
2-cyclopropyl-2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile
CID 66274624

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfanyl-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 3-cyclopentylsulfanyl-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile (CID 63907237) is 3-cyclopentylsulfanyl-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 3-cyclopentylsulfanyl-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 3-cyclopentylsulfanyl-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile is CC(C)NC(C#N)(CSC1CCCC1)C1CC1.
What is the InChIKey of 3-cyclopentylsulfanyl-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile?
The InChIKey is NKRGLRRRWNQESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-11(2)16-14(9-15,12-7-8-12)10-17-13-5-3-4-6-13/h11-13,16H,3-8,10H2,1-2H3.
What are the key properties of 3-cyclopentylsulfanyl-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile?
3-cyclopentylsulfanyl-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile has a molecular weight of 252.43 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfanyl-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 63907237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).