2-propylsulfinylcyclopentane-1-carbonitrile

C9H15NOS — CID 64690280

IUPAC2-propylsulfinylcyclopentane-1-carbonitrile
SMILESCCCS(=O)C1CCCC1C#N
InChIInChI=1S/C9H15NOS/c1-2-6-12(11)9-5-3-4-8(9)7-10/h8-9H,2-6H2,1H3
InChIKeyQXMSDGKIGSUUOB-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.84
Rot. Bonds3

About 2-propylsulfinylcyclopentane-1-carbonitrile

2-propylsulfinylcyclopentane-1-carbonitrile (PubChem CID 64690280) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-propylsulfinylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-propylsulfinylcyclopentane-1-carbonitrile
PubChem CID64690280
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name2-propylsulfinylcyclopentane-1-carbonitrile
SMILESCCCS(=O)C1CCCC1C#N
InChIInChI=1S/C9H15NOS/c1-2-6-12(11)9-5-3-4-8(9)7-10/h8-9H,2-6H2,1H3
InChIKeyQXMSDGKIGSUUOB-UHFFFAOYSA-N
XLogP1.84
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propylsulfinylcyclopentane-1-carbonitrile?
The IUPAC name of 2-propylsulfinylcyclopentane-1-carbonitrile (CID 64690280) is 2-propylsulfinylcyclopentane-1-carbonitrile.
What is the SMILES notation for 2-propylsulfinylcyclopentane-1-carbonitrile?
The canonical SMILES for 2-propylsulfinylcyclopentane-1-carbonitrile is CCCS(=O)C1CCCC1C#N.
What is the InChIKey of 2-propylsulfinylcyclopentane-1-carbonitrile?
The InChIKey is QXMSDGKIGSUUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-2-6-12(11)9-5-3-4-8(9)7-10/h8-9H,2-6H2,1H3.
What are the key properties of 2-propylsulfinylcyclopentane-1-carbonitrile?
2-propylsulfinylcyclopentane-1-carbonitrile has a molecular weight of 185.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfinylcyclopentane-1-carbonitrile is sourced from PubChem (CID 64690280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).