11-methylsulfinylundecanenitrile

C12H23NOS — CID 162787590

IUPAC11-methylsulfinylundecanenitrile
SMILESCS(=O)CCCCCCCCCCC#N
InChIInChI=1S/C12H23NOS/c1-15(14)12-10-8-6-4-2-3-5-7-9-11-13/h2-10,12H2,1H3
InChIKeyMFZGOEQUAZLVDF-UHFFFAOYSA-N
MW229.39 g/mol
LogP3.40
Rot. Bonds10

About 11-methylsulfinylundecanenitrile

11-methylsulfinylundecanenitrile (PubChem CID 162787590) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 11-methylsulfinylundecanenitrile.

Molecular Properties

Compound Name11-methylsulfinylundecanenitrile
PubChem CID162787590
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name11-methylsulfinylundecanenitrile
SMILESCS(=O)CCCCCCCCCCC#N
InChIInChI=1S/C12H23NOS/c1-15(14)12-10-8-6-4-2-3-5-7-9-11-13/h2-10,12H2,1H3
InChIKeyMFZGOEQUAZLVDF-UHFFFAOYSA-N
XLogP3.40
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 53.40
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
10-Methylsulphinyl-decanenitrile
CID 162787571

Frequently Asked Questions

What is the IUPAC name of 11-methylsulfinylundecanenitrile?
The IUPAC name of 11-methylsulfinylundecanenitrile (CID 162787590) is 11-methylsulfinylundecanenitrile.
What is the SMILES notation for 11-methylsulfinylundecanenitrile?
The canonical SMILES for 11-methylsulfinylundecanenitrile is CS(=O)CCCCCCCCCCC#N.
What is the InChIKey of 11-methylsulfinylundecanenitrile?
The InChIKey is MFZGOEQUAZLVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-15(14)12-10-8-6-4-2-3-5-7-9-11-13/h2-10,12H2,1H3.
What are the key properties of 11-methylsulfinylundecanenitrile?
11-methylsulfinylundecanenitrile has a molecular weight of 229.39 g/mol, XLogP of 3.40, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methylsulfinylundecanenitrile is sourced from PubChem (CID 162787590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).