3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile

C15H24N2S — CID 63907050

IUPAC3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
SMILESN#CC(CSCC1CCCC1)(NC1CC1)C1CC1
InChIInChI=1S/C15H24N2S/c16-10-15(13-5-6-13,17-14-7-8-14)11-18-9-12-3-1-2-4-12/h12-14,17H,1-9,11H2
InChIKeyBESYMKCFRFYNSM-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.33
Rot. Bonds7

About 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile

3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile (PubChem CID 63907050) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile.

Molecular Properties

Compound Name3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
PubChem CID63907050
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
SMILESN#CC(CSCC1CCCC1)(NC1CC1)C1CC1
InChIInChI=1S/C15H24N2S/c16-10-15(13-5-6-13,17-14-7-8-14)11-18-9-12-3-1-2-4-12/h12-14,17H,1-9,11H2
InChIKeyBESYMKCFRFYNSM-UHFFFAOYSA-N
XLogP3.33
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(propylamino)propanenitrile
CID 63907051
3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpropanenitrile
CID 63120172
2-[2-cyano-2-cyclopropyl-2-(cyclopropylamino)ethyl]sulfanyl-N,N-dimethylacetamide
CID 114234346
2-cyclopropyl-2-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropanenitrile
CID 63908036
3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
CID 63913568
2-cyclopropyl-2-(cyclopropylamino)-3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propanenitrile
CID 102925670
3-(cyclopentylmethylsulfanyl)propanenitrile
CID 63119318
2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanenitrile
CID 63907221
2-cyclopropyl-2-(cyclopropylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile
CID 63912887
3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
CID 63913080
2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylbutan-2-yloxy)propanenitrile
CID 63907748
2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethylpyrrolidin-1-yl)propanenitrile
CID 113418576

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile?
The IUPAC name of 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile (CID 63907050) is 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile.
What is the SMILES notation for 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile?
The canonical SMILES for 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile is N#CC(CSCC1CCCC1)(NC1CC1)C1CC1.
What is the InChIKey of 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile?
The InChIKey is BESYMKCFRFYNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c16-10-15(13-5-6-13,17-14-7-8-14)11-18-9-12-3-1-2-4-12/h12-14,17H,1-9,11H2.
What are the key properties of 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile?
3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile has a molecular weight of 264.44 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile is sourced from PubChem (CID 63907050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).