2-(3-methoxypropylsulfinyl)cyclopentane-1-carbonitrile

C10H17NO2S — CID 64692282

IUPAC2-(3-methoxypropylsulfinyl)cyclopentane-1-carbonitrile
SMILESCOCCCS(=O)C1CCCC1C#N
InChIInChI=1S/C10H17NO2S/c1-13-6-3-7-14(12)10-5-2-4-9(10)8-11/h9-10H,2-7H2,1H3
InChIKeyRDQHENWWIQWNRZ-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.46
Rot. Bonds5

About 2-(3-methoxypropylsulfinyl)cyclopentane-1-carbonitrile

2-(3-methoxypropylsulfinyl)cyclopentane-1-carbonitrile (PubChem CID 64692282) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-(3-methoxypropylsulfinyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(3-methoxypropylsulfinyl)cyclopentane-1-carbonitrile
PubChem CID64692282
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name2-(3-methoxypropylsulfinyl)cyclopentane-1-carbonitrile
SMILESCOCCCS(=O)C1CCCC1C#N
InChIInChI=1S/C10H17NO2S/c1-13-6-3-7-14(12)10-5-2-4-9(10)8-11/h9-10H,2-7H2,1H3
InChIKeyRDQHENWWIQWNRZ-UHFFFAOYSA-N
XLogP1.46
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylsulfinyl)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(3-methoxypropylsulfinyl)cyclopentane-1-carbonitrile (CID 64692282) is 2-(3-methoxypropylsulfinyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(3-methoxypropylsulfinyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(3-methoxypropylsulfinyl)cyclopentane-1-carbonitrile is COCCCS(=O)C1CCCC1C#N.
What is the InChIKey of 2-(3-methoxypropylsulfinyl)cyclopentane-1-carbonitrile?
The InChIKey is RDQHENWWIQWNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-13-6-3-7-14(12)10-5-2-4-9(10)8-11/h9-10H,2-7H2,1H3.
What are the key properties of 2-(3-methoxypropylsulfinyl)cyclopentane-1-carbonitrile?
2-(3-methoxypropylsulfinyl)cyclopentane-1-carbonitrile has a molecular weight of 215.32 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylsulfinyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 64692282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).