9-[(S)-methylsulfinyl]nonanenitrile

C10H19NOS — CID 163023074

IUPAC9-[(S)-methylsulfinyl]nonanenitrile
SMILESC[S@](=O)CCCCCCCCC#N
InChIInChI=1S/C10H19NOS/c1-13(12)10-8-6-4-2-3-5-7-9-11/h2-8,10H2,1H3/t13-/m0/s1
InChIKeyXGRYRNQISNOEGY-ZDUSSCGKSA-N
MW201.33 g/mol
LogP2.62
Rot. Bonds8

About 9-[(S)-methylsulfinyl]nonanenitrile

9-[(S)-methylsulfinyl]nonanenitrile (PubChem CID 163023074) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 9-[(S)-methylsulfinyl]nonanenitrile.

Molecular Properties

Compound Name9-[(S)-methylsulfinyl]nonanenitrile
PubChem CID163023074
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name9-[(S)-methylsulfinyl]nonanenitrile
SMILESC[S@](=O)CCCCCCCCC#N
InChIInChI=1S/C10H19NOS/c1-13(12)10-8-6-4-2-3-5-7-9-11/h2-8,10H2,1H3/t13-/m0/s1
InChIKeyXGRYRNQISNOEGY-ZDUSSCGKSA-N
XLogP2.62
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
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-(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
10-Methylsulphinyl-decanenitrile
CID 162787571
11-Methyl-sulphinyl-undecanenitrile
CID 162787590

Frequently Asked Questions

What is the IUPAC name of 9-[(S)-methylsulfinyl]nonanenitrile?
The IUPAC name of 9-[(S)-methylsulfinyl]nonanenitrile (CID 163023074) is 9-[(S)-methylsulfinyl]nonanenitrile.
What is the SMILES notation for 9-[(S)-methylsulfinyl]nonanenitrile?
The canonical SMILES for 9-[(S)-methylsulfinyl]nonanenitrile is C[S@](=O)CCCCCCCCC#N.
What is the InChIKey of 9-[(S)-methylsulfinyl]nonanenitrile?
The InChIKey is XGRYRNQISNOEGY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C10H19NOS/c1-13(12)10-8-6-4-2-3-5-7-9-11/h2-8,10H2,1H3/t13-/m0/s1.
What are the key properties of 9-[(S)-methylsulfinyl]nonanenitrile?
9-[(S)-methylsulfinyl]nonanenitrile has a molecular weight of 201.33 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(S)-methylsulfinyl]nonanenitrile is sourced from PubChem (CID 163023074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).