2-amino-3-(3-methylcyclohexyl)sulfanylpropanenitrile

C10H18N2S — CID 62722458

IUPAC2-amino-3-(3-methylcyclohexyl)sulfanylpropanenitrile
SMILESCC1CCCC(SCC(N)C#N)C1
InChIInChI=1S/C10H18N2S/c1-8-3-2-4-10(5-8)13-7-9(12)6-11/h8-10H,2-5,7,12H2,1H3
InChIKeyMAXWXUVTPPAHEH-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.15
Rot. Bonds3

About 2-amino-3-(3-methylcyclohexyl)sulfanylpropanenitrile

2-amino-3-(3-methylcyclohexyl)sulfanylpropanenitrile (PubChem CID 62722458) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-amino-3-(3-methylcyclohexyl)sulfanylpropanenitrile.

Molecular Properties

Compound Name2-amino-3-(3-methylcyclohexyl)sulfanylpropanenitrile
PubChem CID62722458
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name2-amino-3-(3-methylcyclohexyl)sulfanylpropanenitrile
SMILESCC1CCCC(SCC(N)C#N)C1
InChIInChI=1S/C10H18N2S/c1-8-3-2-4-10(5-8)13-7-9(12)6-11/h8-10H,2-5,7,12H2,1H3
InChIKeyMAXWXUVTPPAHEH-UHFFFAOYSA-N
XLogP2.15
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylcyclohexyl)sulfanylpropane-1,2-diol
CID 79683415
N'-hydroxy-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanimidamide
CID 76948535
1-[2-(bromomethyl)-3,3-dimethylbutyl]sulfanyl-3-methylcyclohexane
CID 65016282
N-ethyl-1-(3-methylcyclohexyl)sulfanylpentan-2-amine
CID 64632799
1-(3,4-difluorophenyl)-2-(3-methylcyclohexyl)sulfanylethanamine
CID 107525018
2-amino-3-(2-methyloxolan-3-yl)sulfanylpropanenitrile
CID 107754835
methyl 2-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylpropanoate
CID 62722999
1-methyl-3-(2,2,2-trifluoroethylsulfanyl)cyclohexane
CID 130891059
2-amino-4-cyclopentylsulfanylbutanenitrile
CID 63115329
5-(3-methylcyclohexyl)sulfanylpentan-1-amine
CID 62721729
[2-cyclopentylsulfanyl-1-(3-methylcyclohexyl)ethyl]hydrazine
CID 105227418
1-(3-aminophenyl)-2-(3-methylcyclohexyl)sulfanylethanol
CID 55111272

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-methylcyclohexyl)sulfanylpropanenitrile?
The IUPAC name of 2-amino-3-(3-methylcyclohexyl)sulfanylpropanenitrile (CID 62722458) is 2-amino-3-(3-methylcyclohexyl)sulfanylpropanenitrile.
What is the SMILES notation for 2-amino-3-(3-methylcyclohexyl)sulfanylpropanenitrile?
The canonical SMILES for 2-amino-3-(3-methylcyclohexyl)sulfanylpropanenitrile is CC1CCCC(SCC(N)C#N)C1.
What is the InChIKey of 2-amino-3-(3-methylcyclohexyl)sulfanylpropanenitrile?
The InChIKey is MAXWXUVTPPAHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-8-3-2-4-10(5-8)13-7-9(12)6-11/h8-10H,2-5,7,12H2,1H3.
What are the key properties of 2-amino-3-(3-methylcyclohexyl)sulfanylpropanenitrile?
2-amino-3-(3-methylcyclohexyl)sulfanylpropanenitrile has a molecular weight of 198.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-methylcyclohexyl)sulfanylpropanenitrile is sourced from PubChem (CID 62722458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).