2-(cyclopropylamino)-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanenitrile

C14H24N2S — CID 55111228

IUPAC2-(cyclopropylamino)-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanenitrile
SMILESCC1CCCC(SCC(C)(C#N)NC2CC2)C1
InChIInChI=1S/C14H24N2S/c1-11-4-3-5-13(8-11)17-10-14(2,9-15)16-12-6-7-12/h11-13,16H,3-8,10H2,1-2H3
InChIKeyGVLAPIIDBLNBBF-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.33
Rot. Bonds5

About 2-(cyclopropylamino)-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanenitrile

2-(cyclopropylamino)-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanenitrile (PubChem CID 55111228) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanenitrile
PubChem CID55111228
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name2-(cyclopropylamino)-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanenitrile
SMILESCC1CCCC(SCC(C)(C#N)NC2CC2)C1
InChIInChI=1S/C14H24N2S/c1-11-4-3-5-13(8-11)17-10-14(2,9-15)16-12-6-7-12/h11-13,16H,3-8,10H2,1-2H3
InChIKeyGVLAPIIDBLNBBF-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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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanenitrile?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanenitrile (CID 55111228) is 2-(cyclopropylamino)-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanenitrile is CC1CCCC(SCC(C)(C#N)NC2CC2)C1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanenitrile?
The InChIKey is GVLAPIIDBLNBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-11-4-3-5-13(8-11)17-10-14(2,9-15)16-12-6-7-12/h11-13,16H,3-8,10H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanenitrile?
2-(cyclopropylamino)-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanenitrile 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 2-(cyclopropylamino)-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanenitrile is sourced from PubChem (CID 55111228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).