5-[[(2-ethylsulfanylcyclopentyl)amino]methyl]thiophene-3-carbonitrile

C13H18N2S2 — CID 114121508

IUPAC5-[[(2-ethylsulfanylcyclopentyl)amino]methyl]thiophene-3-carbonitrile
SMILESCCSC1CCCC1NCc1cc(C#N)cs1
InChIInChI=1S/C13H18N2S2/c1-2-16-13-5-3-4-12(13)15-8-11-6-10(7-14)9-17-11/h6,9,12-13,15H,2-5,8H2,1H3
InChIKeyXGKZCSDAMCUKIH-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.38
Rot. Bonds5

About 5-[[(2-ethylsulfanylcyclopentyl)amino]methyl]thiophene-3-carbonitrile

5-[[(2-ethylsulfanylcyclopentyl)amino]methyl]thiophene-3-carbonitrile (PubChem CID 114121508) has the molecular formula C13H18N2S2 and a molecular weight of 266.43 g/mol. Its IUPAC name is 5-[[(2-ethylsulfanylcyclopentyl)amino]methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[[(2-ethylsulfanylcyclopentyl)amino]methyl]thiophene-3-carbonitrile
PubChem CID114121508
Molecular FormulaC13H18N2S2
Molecular Weight266.43 g/mol
Exact Mass266.09
IUPAC Name5-[[(2-ethylsulfanylcyclopentyl)amino]methyl]thiophene-3-carbonitrile
SMILESCCSC1CCCC1NCc1cc(C#N)cs1
InChIInChI=1S/C13H18N2S2/c1-2-16-13-5-3-4-12(13)15-8-11-6-10(7-14)9-17-11/h6,9,12-13,15H,2-5,8H2,1H3
InChIKeyXGKZCSDAMCUKIH-UHFFFAOYSA-N
XLogP3.38
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2-ethylcyclohexyl)amino]methyl]thiophene-3-carbonitrile
CID 79545724
5-[[(2-hydroxycycloheptyl)amino]methyl]thiophene-3-carbonitrile
CID 113394650
cis-(1R,2S)-2-ethylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
CID 124681049
5-[[(4-propylcyclohexyl)amino]methyl]thiophene-3-carbonitrile
CID 79553308
5-[(oxan-4-ylamino)methyl]thiophene-3-carbonitrile
CID 79553461
5-[(1-cyclobutylethylamino)methyl]thiophene-3-carbonitrile
CID 115768375
5-[[(3-methylcyclopentyl)amino]methyl]thiophene-3-carbonitrile
CID 114543819
5-[[(2,2-diethyloxan-4-yl)amino]methyl]thiophene-3-carbonitrile
CID 82760308
5-[[(3,5-dimethylcyclohexyl)amino]methyl]thiophene-3-carbonitrile
CID 79553787
N-[(3,5-dichlorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine
CID 114121479
5-[(2-cyclohexylethylamino)methyl]thiophene-3-carbonitrile
CID 79544754
4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide
CID 103727544

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-ethylsulfanylcyclopentyl)amino]methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[[(2-ethylsulfanylcyclopentyl)amino]methyl]thiophene-3-carbonitrile (CID 114121508) is 5-[[(2-ethylsulfanylcyclopentyl)amino]methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[[(2-ethylsulfanylcyclopentyl)amino]methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[[(2-ethylsulfanylcyclopentyl)amino]methyl]thiophene-3-carbonitrile is CCSC1CCCC1NCc1cc(C#N)cs1.
What is the InChIKey of 5-[[(2-ethylsulfanylcyclopentyl)amino]methyl]thiophene-3-carbonitrile?
The InChIKey is XGKZCSDAMCUKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S2/c1-2-16-13-5-3-4-12(13)15-8-11-6-10(7-14)9-17-11/h6,9,12-13,15H,2-5,8H2,1H3.
What are the key properties of 5-[[(2-ethylsulfanylcyclopentyl)amino]methyl]thiophene-3-carbonitrile?
5-[[(2-ethylsulfanylcyclopentyl)amino]methyl]thiophene-3-carbonitrile has a molecular weight of 266.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-ethylsulfanylcyclopentyl)amino]methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 114121508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).