5-(oxolan-2-ylmethylsulfinyl)pentanenitrile

C10H17NO2S — CID 103579656

IUPAC5-(oxolan-2-ylmethylsulfinyl)pentanenitrile
SMILESN#CCCCCS(=O)CC1CCCO1
InChIInChI=1S/C10H17NO2S/c11-6-2-1-3-8-14(12)9-10-5-4-7-13-10/h10H,1-5,7-9H2
InChIKeyKGHWSMVXMAJLBE-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.61
Rot. Bonds6

About 5-(oxolan-2-ylmethylsulfinyl)pentanenitrile

5-(oxolan-2-ylmethylsulfinyl)pentanenitrile (PubChem CID 103579656) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 5-(oxolan-2-ylmethylsulfinyl)pentanenitrile.

Molecular Properties

Compound Name5-(oxolan-2-ylmethylsulfinyl)pentanenitrile
PubChem CID103579656
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name5-(oxolan-2-ylmethylsulfinyl)pentanenitrile
SMILESN#CCCCCS(=O)CC1CCCO1
InChIInChI=1S/C10H17NO2S/c11-6-2-1-3-8-14(12)9-10-5-4-7-13-10/h10H,1-5,7-9H2
InChIKeyKGHWSMVXMAJLBE-UHFFFAOYSA-N
XLogP1.61
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(cyclopentylmethylsulfinyl)pentanenitrile
CID 64698774
2-(3-azidopropylsulfinylmethyl)oxolane
CID 106495363
3-[(2S)-oxolan-2-yl]propanenitrile
CID 129367969
6-(oxolan-2-ylmethylsulfinyl)-N-propylhexan-3-amine
CID 106808096
3-[3-(oxolan-2-ylmethylsulfinyl)propoxy]aniline
CID 106495251
1-(oxolan-2-ylmethylsulfinyl)butan-2-one
CID 106497232
3-fluoro-5-(oxolan-2-ylmethylsulfinylmethyl)benzonitrile
CID 106497369
3-(oxolan-2-ylmethylamino)propanenitrile
CID 2779328
propan-2-yl 2-(oxolan-2-ylmethylsulfinyl)acetate
CID 106495212
[3-[3-(oxolan-2-ylmethylsulfinyl)propoxy]phenyl]methanamine
CID 106497510
2-(oxolan-2-ylmethylsulfinylmethyl)aniline
CID 106495315
1-(oxolan-2-ylmethylsulfinyl)pentan-2-one
CID 106497160

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-ylmethylsulfinyl)pentanenitrile?
The IUPAC name of 5-(oxolan-2-ylmethylsulfinyl)pentanenitrile (CID 103579656) is 5-(oxolan-2-ylmethylsulfinyl)pentanenitrile.
What is the SMILES notation for 5-(oxolan-2-ylmethylsulfinyl)pentanenitrile?
The canonical SMILES for 5-(oxolan-2-ylmethylsulfinyl)pentanenitrile is N#CCCCCS(=O)CC1CCCO1.
What is the InChIKey of 5-(oxolan-2-ylmethylsulfinyl)pentanenitrile?
The InChIKey is KGHWSMVXMAJLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c11-6-2-1-3-8-14(12)9-10-5-4-7-13-10/h10H,1-5,7-9H2.
What are the key properties of 5-(oxolan-2-ylmethylsulfinyl)pentanenitrile?
5-(oxolan-2-ylmethylsulfinyl)pentanenitrile has a molecular weight of 215.32 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-ylmethylsulfinyl)pentanenitrile is sourced from PubChem (CID 103579656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).