2-ethylsulfanylcyclopentane-1-carbonitrile

C8H13NS — CID 43293218

IUPAC2-ethylsulfanylcyclopentane-1-carbonitrile
SMILESCCSC1CCCC1C#N
InChIInChI=1S/C8H13NS/c1-2-10-8-5-3-4-7(8)6-9/h7-8H,2-5H2,1H3
InChIKeyVNPJGDNADZMYBS-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.43
Rot. Bonds2

About 2-ethylsulfanylcyclopentane-1-carbonitrile

2-ethylsulfanylcyclopentane-1-carbonitrile (PubChem CID 43293218) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2-ethylsulfanylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-ethylsulfanylcyclopentane-1-carbonitrile
PubChem CID43293218
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2-ethylsulfanylcyclopentane-1-carbonitrile
SMILESCCSC1CCCC1C#N
InChIInChI=1S/C8H13NS/c1-2-10-8-5-3-4-7(8)6-9/h7-8H,2-5H2,1H3
InChIKeyVNPJGDNADZMYBS-UHFFFAOYSA-N
XLogP2.43
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Methylsulfanyl)cyclopentane-1-carbonitrile
CID 12771999
2,2-dimethyltetrahydro-2H-thiopyran-4-carbonitrile
CID 12570437
Cyclopentanecarbonitrile, 1-(methylthio)-
CID 65131232
(2R)-2,5-dimethylthiolane-3-carbonitrile
CID 89363350
2-Ethyl-3-methylsulfanylpentanenitrile
CID 89403364
1-(Methylsulfanylmethyl)cyclopentane-1-carbonitrile
CID 123808554
5-Methyl-4-methylsulfanylhexanenitrile
CID 134423896
3-(Cyclobutylmethylsulfanyl)cyclopentane-1-carbonitrile
CID 139502327
2-Methyl-3-(thian-4-yl)propanenitrile
CID 142227989
2-(1-Methylsulfanylcyclopentyl)acetonitrile
CID 146581107
4-Propan-2-ylthiolane-3-carbonitrile
CID 164800624
5-Methyl-2-methylsulfanylhexanenitrile
CID 166896999

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanylcyclopentane-1-carbonitrile?
The IUPAC name of 2-ethylsulfanylcyclopentane-1-carbonitrile (CID 43293218) is 2-ethylsulfanylcyclopentane-1-carbonitrile.
What is the SMILES notation for 2-ethylsulfanylcyclopentane-1-carbonitrile?
The canonical SMILES for 2-ethylsulfanylcyclopentane-1-carbonitrile is CCSC1CCCC1C#N.
What is the InChIKey of 2-ethylsulfanylcyclopentane-1-carbonitrile?
The InChIKey is VNPJGDNADZMYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-2-10-8-5-3-4-7(8)6-9/h7-8H,2-5H2,1H3.
What are the key properties of 2-ethylsulfanylcyclopentane-1-carbonitrile?
2-ethylsulfanylcyclopentane-1-carbonitrile has a molecular weight of 155.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylcyclopentane-1-carbonitrile is sourced from PubChem (CID 43293218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).