1-(cyclopropylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile

C14H24N2S — CID 79636467

IUPAC1-(cyclopropylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile
SMILESCC(C)CSC1CCCC(C#N)(NC2CC2)C1
InChIInChI=1S/C14H24N2S/c1-11(2)9-17-13-4-3-7-14(8-13,10-15)16-12-5-6-12/h11-13,16H,3-9H2,1-2H3
InChIKeyFTJPBWHFGOQZGW-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.33
Rot. Bonds5

About 1-(cyclopropylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile

1-(cyclopropylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile (PubChem CID 79636467) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile
PubChem CID79636467
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-(cyclopropylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile
SMILESCC(C)CSC1CCCC(C#N)(NC2CC2)C1
InChIInChI=1S/C14H24N2S/c1-11(2)9-17-13-4-3-7-14(8-13,10-15)16-12-5-6-12/h11-13,16H,3-9H2,1-2H3
InChIKeyFTJPBWHFGOQZGW-UHFFFAOYSA-N
XLogP3.33
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

1-(ethylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile
CID 79636546
1-(cyclopropylamino)-3-(2-methoxyethylsulfanyl)cyclohexane-1-carbonitrile
CID 79636237
1-(methylamino)-3-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile
CID 79649504
3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79636028
1-(propan-2-ylamino)-3-propylsulfanylcyclohexane-1-carbonitrile
CID 79637084
1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 79626679
3-cyclopentylsulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79636871
3-(3-methylbutylsulfanyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 107755118
2-[3-cyano-3-(cyclopropylamino)cyclopentyl]sulfanyl-N-ethylacetamide
CID 114234311
1-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carbonitrile
CID 79650149
1-(cyclopropylamino)cyclohexane-1-carbonitrile
CID 28702726
1-(cyclopropylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexane-1-carbonitrile
CID 79637088

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile (CID 79636467) is 1-(cyclopropylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile is CC(C)CSC1CCCC(C#N)(NC2CC2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile?
The InChIKey is FTJPBWHFGOQZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-11(2)9-17-13-4-3-7-14(8-13,10-15)16-12-5-6-12/h11-13,16H,3-9H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile?
1-(cyclopropylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile has a molecular weight of 252.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79636467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).