1-(ethylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carbonitrile

C14H24N2OS — CID 106495474

IUPAC1-(ethylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(SCC2CCCO2)C1
InChIInChI=1S/C14H24N2OS/c1-2-16-14(11-15)7-3-6-13(9-14)18-10-12-5-4-8-17-12/h12-13,16H,2-10H2,1H3
InChIKeyHTZHMVXGCCBJQF-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.71
Rot. Bonds5

About 1-(ethylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carbonitrile

1-(ethylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carbonitrile (PubChem CID 106495474) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-(ethylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carbonitrile
PubChem CID106495474
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-(ethylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(SCC2CCCO2)C1
InChIInChI=1S/C14H24N2OS/c1-2-16-14(11-15)7-3-6-13(9-14)18-10-12-5-4-8-17-12/h12-13,16H,2-10H2,1H3
InChIKeyHTZHMVXGCCBJQF-UHFFFAOYSA-N
XLogP2.71
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(ethylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(ethylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile
CID 79636546
1-(ethylamino)-3-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile
CID 79625056
1-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexane-1-carbonitrile
CID 79636099
1-(ethylamino)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
CID 79636719
1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide
CID 106495653
[1-amino-3-(oxolan-2-ylmethylsulfanyl)cyclopentyl]methanol
CID 106497567
1-(propan-2-ylamino)-3-propylsulfanylcyclohexane-1-carbonitrile
CID 79637084
1-(ethylamino)-3-(3-hydroxy-2-methylpropyl)sulfanylcyclopentane-1-carbonitrile
CID 79649917
3-(2-methoxyethylsulfanyl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79636236
3-[methyl(oxan-2-ylmethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79626843
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79626442
1-(ethylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentane-1-carbonitrile
CID 107754976

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carbonitrile (CID 106495474) is 1-(ethylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carbonitrile is CCNC1(C#N)CCCC(SCC2CCCO2)C1.
What is the InChIKey of 1-(ethylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carbonitrile?
The InChIKey is HTZHMVXGCCBJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-2-16-14(11-15)7-3-6-13(9-14)18-10-12-5-4-8-17-12/h12-13,16H,2-10H2,1H3.
What are the key properties of 1-(ethylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carbonitrile?
1-(ethylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carbonitrile has a molecular weight of 268.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 106495474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).