2-[(2-ethylsulfanylcyclopentyl)amino]-5-methylbenzonitrile

C15H20N2S — CID 114121561

IUPAC2-[(2-ethylsulfanylcyclopentyl)amino]-5-methylbenzonitrile
SMILESCCSC1CCCC1Nc1ccc(C)cc1C#N
InChIInChI=1S/C15H20N2S/c1-3-18-15-6-4-5-14(15)17-13-8-7-11(2)9-12(13)10-16/h7-9,14-15,17H,3-6H2,1-2H3
InChIKeyGSPLDOQNJIMSKO-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.95
Rot. Bonds4

About 2-[(2-ethylsulfanylcyclopentyl)amino]-5-methylbenzonitrile

2-[(2-ethylsulfanylcyclopentyl)amino]-5-methylbenzonitrile (PubChem CID 114121561) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-[(2-ethylsulfanylcyclopentyl)amino]-5-methylbenzonitrile.

Molecular Properties

Compound Name2-[(2-ethylsulfanylcyclopentyl)amino]-5-methylbenzonitrile
PubChem CID114121561
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2-[(2-ethylsulfanylcyclopentyl)amino]-5-methylbenzonitrile
SMILESCCSC1CCCC1Nc1ccc(C)cc1C#N
InChIInChI=1S/C15H20N2S/c1-3-18-15-6-4-5-14(15)17-13-8-7-11(2)9-12(13)10-16/h7-9,14-15,17H,3-6H2,1-2H3
InChIKeyGSPLDOQNJIMSKO-UHFFFAOYSA-N
XLogP3.95
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethyl-2-methylcyclopentyl)amino]-5-methylbenzonitrile
CID 107927565
1-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzene-1,4-diamine
CID 114121302
5-fluoro-2-[(2-methylsulfanylcyclohexyl)amino]benzonitrile
CID 103703350
3-N-(2-ethylsulfanylcyclopentyl)-2-methylbenzene-1,3-diamine
CID 114121308
6-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]pyridine-3-carbonitrile
CID 96525974
N-(2-ethylsulfanylcyclopentyl)-5-methylpyrimidin-2-amine
CID 103858190
5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]benzamide
CID 114122050
4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide
CID 103727544
2-[(3,3-dimethylcyclopentyl)amino]-5-methylbenzonitrile
CID 107927907
5-chloro-2-[(3-ethylsulfanylcyclopentyl)amino]benzonitrile
CID 103704814
4-N-(2-ethylsulfanylcyclopentyl)pyrimidine-2,4,6-triamine
CID 114122138
N-(2-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine
CID 103725083

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylsulfanylcyclopentyl)amino]-5-methylbenzonitrile?
The IUPAC name of 2-[(2-ethylsulfanylcyclopentyl)amino]-5-methylbenzonitrile (CID 114121561) is 2-[(2-ethylsulfanylcyclopentyl)amino]-5-methylbenzonitrile.
What is the SMILES notation for 2-[(2-ethylsulfanylcyclopentyl)amino]-5-methylbenzonitrile?
The canonical SMILES for 2-[(2-ethylsulfanylcyclopentyl)amino]-5-methylbenzonitrile is CCSC1CCCC1Nc1ccc(C)cc1C#N.
What is the InChIKey of 2-[(2-ethylsulfanylcyclopentyl)amino]-5-methylbenzonitrile?
The InChIKey is GSPLDOQNJIMSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-3-18-15-6-4-5-14(15)17-13-8-7-11(2)9-12(13)10-16/h7-9,14-15,17H,3-6H2,1-2H3.
What are the key properties of 2-[(2-ethylsulfanylcyclopentyl)amino]-5-methylbenzonitrile?
2-[(2-ethylsulfanylcyclopentyl)amino]-5-methylbenzonitrile has a molecular weight of 260.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylsulfanylcyclopentyl)amino]-5-methylbenzonitrile is sourced from PubChem (CID 114121561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).