5-(cyclopentylmethylsulfinyl)pentanenitrile

C11H19NOS — CID 64698774

IUPAC5-(cyclopentylmethylsulfinyl)pentanenitrile
SMILESN#CCCCCS(=O)CC1CCCC1
InChIInChI=1S/C11H19NOS/c12-8-4-1-5-9-14(13)10-11-6-2-3-7-11/h11H,1-7,9-10H2
InChIKeyGCFDXYYDGZESAA-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.62
Rot. Bonds6

About 5-(cyclopentylmethylsulfinyl)pentanenitrile

5-(cyclopentylmethylsulfinyl)pentanenitrile (PubChem CID 64698774) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 5-(cyclopentylmethylsulfinyl)pentanenitrile.

Molecular Properties

Compound Name5-(cyclopentylmethylsulfinyl)pentanenitrile
PubChem CID64698774
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name5-(cyclopentylmethylsulfinyl)pentanenitrile
SMILESN#CCCCCS(=O)CC1CCCC1
InChIInChI=1S/C11H19NOS/c12-8-4-1-5-9-14(13)10-11-6-2-3-7-11/h11H,1-7,9-10H2
InChIKeyGCFDXYYDGZESAA-UHFFFAOYSA-N
XLogP2.62
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(oxolan-2-ylmethylsulfinyl)pentanenitrile
CID 103579656
3-(cyclopentylmethylsulfinyl)-N-methylpropan-1-amine
CID 64655468
2-(cyclohexylmethylsulfinyl)ethanamine
CID 58684182
5-butylsulfinylpentanenitrile
CID 64691945
6-(cyclopentylmethylsulfinyl)-N-methylhexan-3-amine
CID 106808036
3-cycloheptylpropanenitrile
CID 13164045
4-cyanobutane-1-sulfinic acid
CID 91036742
3-(cyclohexylmethylsulfinylmethyl)azetidine
CID 81196611
3-(cyclohexylmethylsulfinyl)-2-methylpropan-1-amine
CID 81200825
cyclohexylmethanesulfinyl chloride
CID 130879952
cyclohexylmethanesulfinate
CID 57427117
2-[2-(cyclopentylmethylsulfinyl)ethoxy]benzonitrile
CID 64698974

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethylsulfinyl)pentanenitrile?
The IUPAC name of 5-(cyclopentylmethylsulfinyl)pentanenitrile (CID 64698774) is 5-(cyclopentylmethylsulfinyl)pentanenitrile.
What is the SMILES notation for 5-(cyclopentylmethylsulfinyl)pentanenitrile?
The canonical SMILES for 5-(cyclopentylmethylsulfinyl)pentanenitrile is N#CCCCCS(=O)CC1CCCC1.
What is the InChIKey of 5-(cyclopentylmethylsulfinyl)pentanenitrile?
The InChIKey is GCFDXYYDGZESAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c12-8-4-1-5-9-14(13)10-11-6-2-3-7-11/h11H,1-7,9-10H2.
What are the key properties of 5-(cyclopentylmethylsulfinyl)pentanenitrile?
5-(cyclopentylmethylsulfinyl)pentanenitrile has a molecular weight of 213.35 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethylsulfinyl)pentanenitrile is sourced from PubChem (CID 64698774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).