10-methylsulfinyldecanenitrile

C11H21NOS — CID 162787571

IUPAC10-methylsulfinyldecanenitrile
SMILESCS(=O)CCCCCCCCCC#N
InChIInChI=1S/C11H21NOS/c1-14(13)11-9-7-5-3-2-4-6-8-10-12/h2-9,11H2,1H3
InChIKeyARHKEOWVEGTLJM-UHFFFAOYSA-N
MW215.36 g/mol
LogP3.01
Rot. Bonds9

About 10-methylsulfinyldecanenitrile

10-methylsulfinyldecanenitrile (PubChem CID 162787571) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 10-methylsulfinyldecanenitrile.

Molecular Properties

Compound Name10-methylsulfinyldecanenitrile
PubChem CID162787571
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name10-methylsulfinyldecanenitrile
SMILESCS(=O)CCCCCCCCCC#N
InChIInChI=1S/C11H21NOS/c1-14(13)11-9-7-5-3-2-4-6-8-10-12/h2-9,11H2,1H3
InChIKeyARHKEOWVEGTLJM-UHFFFAOYSA-N
XLogP3.01
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.01
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-(Methylsulfinyl)pentanenitrile
CID 543743
Rorifone
CID 3033049
9-(Methylthio)nonanenitrile
CID 93987
8-(Methylsulfanyl)octanenitrile
CID 187924
Diptocarpilidine
CID 14844938
1-Cyano-8-(methylsulfinyl)octane
CID 85993300
1-Cyano-8-(methylsulfinyl)heptane
CID 121232644
5-[(R)-methylsulfinyl]pentanenitrile
CID 140989117
6-[(S)-methylsulfinyl]hexanenitrile
CID 100070543
7-[(S)-methylsulfinyl]heptanenitrile
CID 162876921
9-[(S)-methylsulfinyl]nonanenitrile
CID 163023074
11-Methyl-sulphinyl-undecanenitrile
CID 162787590

Frequently Asked Questions

What is the IUPAC name of 10-methylsulfinyldecanenitrile?
The IUPAC name of 10-methylsulfinyldecanenitrile (CID 162787571) is 10-methylsulfinyldecanenitrile.
What is the SMILES notation for 10-methylsulfinyldecanenitrile?
The canonical SMILES for 10-methylsulfinyldecanenitrile is CS(=O)CCCCCCCCCC#N.
What is the InChIKey of 10-methylsulfinyldecanenitrile?
The InChIKey is ARHKEOWVEGTLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-14(13)11-9-7-5-3-2-4-6-8-10-12/h2-9,11H2,1H3.
What are the key properties of 10-methylsulfinyldecanenitrile?
10-methylsulfinyldecanenitrile has a molecular weight of 215.36 g/mol, XLogP of 3.01, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylsulfinyldecanenitrile is sourced from PubChem (CID 162787571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).