3-(1-ethylsulfanylcyclopentyl)-3-oxopropanenitrile

C10H15NOS — CID 141392425

IUPAC3-(1-ethylsulfanylcyclopentyl)-3-oxopropanenitrile
SMILESCCSC1(C(=O)CC#N)CCCC1
InChIInChI=1S/C10H15NOS/c1-2-13-10(6-3-4-7-10)9(12)5-8-11/h2-7H2,1H3
InChIKeyXROAJMFIMDWKFS-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.54
Rot. Bonds4

About 3-(1-ethylsulfanylcyclopentyl)-3-oxopropanenitrile

3-(1-ethylsulfanylcyclopentyl)-3-oxopropanenitrile (PubChem CID 141392425) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 3-(1-ethylsulfanylcyclopentyl)-3-oxopropanenitrile.

Molecular Properties

Compound Name3-(1-ethylsulfanylcyclopentyl)-3-oxopropanenitrile
PubChem CID141392425
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name3-(1-ethylsulfanylcyclopentyl)-3-oxopropanenitrile
SMILESCCSC1(C(=O)CC#N)CCCC1
InChIInChI=1S/C10H15NOS/c1-2-13-10(6-3-4-7-10)9(12)5-8-11/h2-7H2,1H3
InChIKeyXROAJMFIMDWKFS-UHFFFAOYSA-N
XLogP2.54
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylsulfanylcyclopentyl)-3-oxopropanenitrile?
The IUPAC name of 3-(1-ethylsulfanylcyclopentyl)-3-oxopropanenitrile (CID 141392425) is 3-(1-ethylsulfanylcyclopentyl)-3-oxopropanenitrile.
What is the SMILES notation for 3-(1-ethylsulfanylcyclopentyl)-3-oxopropanenitrile?
The canonical SMILES for 3-(1-ethylsulfanylcyclopentyl)-3-oxopropanenitrile is CCSC1(C(=O)CC#N)CCCC1.
What is the InChIKey of 3-(1-ethylsulfanylcyclopentyl)-3-oxopropanenitrile?
The InChIKey is XROAJMFIMDWKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-2-13-10(6-3-4-7-10)9(12)5-8-11/h2-7H2,1H3.
What are the key properties of 3-(1-ethylsulfanylcyclopentyl)-3-oxopropanenitrile?
3-(1-ethylsulfanylcyclopentyl)-3-oxopropanenitrile has a molecular weight of 197.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylsulfanylcyclopentyl)-3-oxopropanenitrile is sourced from PubChem (CID 141392425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).