5-[(R)-methylsulfinyl]pentanenitrile

C6H11NOS — CID 140989117

IUPAC5-[(R)-methylsulfinyl]pentanenitrile
SMILESC[S@@](=O)CCCCC#N
InChIInChI=1S/C6H11NOS/c1-9(8)6-4-2-3-5-7/h2-4,6H2,1H3/t9-/m1/s1
InChIKeyFGYQUFZANKOISC-SECBINFHSA-N
MW145.23 g/mol
LogP1.06
Rot. Bonds4

About 5-[(R)-methylsulfinyl]pentanenitrile

5-[(R)-methylsulfinyl]pentanenitrile (PubChem CID 140989117) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 5-[(R)-methylsulfinyl]pentanenitrile.

Molecular Properties

Compound Name5-[(R)-methylsulfinyl]pentanenitrile
PubChem CID140989117
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name5-[(R)-methylsulfinyl]pentanenitrile
SMILESC[S@@](=O)CCCCC#N
InChIInChI=1S/C6H11NOS/c1-9(8)6-4-2-3-5-7/h2-4,6H2,1H3/t9-/m1/s1
InChIKeyFGYQUFZANKOISC-SECBINFHSA-N
XLogP1.06
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 51.06
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-(Methylsulfanyl)pentanenitrile
CID 93320
5-(Methylsulfinyl)pentanenitrile
CID 543743
4-(Methylsulfinyl)butanenitrile
CID 100579
Diptocarpilidine
CID 14844938
1-Cyano-8-(methylsulfinyl)octane
CID 85993300
1-Cyano-8-(methylsulfinyl)heptane
CID 121232644
6-[(S)-methylsulfinyl]hexanenitrile
CID 100070543
7-[(S)-methylsulfinyl]heptanenitrile
CID 162876921
9-[(S)-methylsulfinyl]nonanenitrile
CID 163023074
3-Methylthiobutyl cyanide
CID 126971417
4-Methanesulfonylbutanenitrile
CID 24807014
3-Methylsulfinylpropanenitrile
CID 12714614

Frequently Asked Questions

What is the IUPAC name of 5-[(R)-methylsulfinyl]pentanenitrile?
The IUPAC name of 5-[(R)-methylsulfinyl]pentanenitrile (CID 140989117) is 5-[(R)-methylsulfinyl]pentanenitrile.
What is the SMILES notation for 5-[(R)-methylsulfinyl]pentanenitrile?
The canonical SMILES for 5-[(R)-methylsulfinyl]pentanenitrile is C[S@@](=O)CCCCC#N.
What is the InChIKey of 5-[(R)-methylsulfinyl]pentanenitrile?
The InChIKey is FGYQUFZANKOISC-SECBINFHSA-N. The full InChI is InChI=1S/C6H11NOS/c1-9(8)6-4-2-3-5-7/h2-4,6H2,1H3/t9-/m1/s1.
What are the key properties of 5-[(R)-methylsulfinyl]pentanenitrile?
5-[(R)-methylsulfinyl]pentanenitrile has a molecular weight of 145.23 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(R)-methylsulfinyl]pentanenitrile is sourced from PubChem (CID 140989117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).