2-(2-ethylsulfonylethyl)thiolane-2-carbonitrile

C9H15NO2S2 — CID 83174375

IUPAC2-(2-ethylsulfonylethyl)thiolane-2-carbonitrile
SMILESCCS(=O)(=O)CCC1(C#N)CCCS1
InChIInChI=1S/C9H15NO2S2/c1-2-14(11,12)7-5-9(8-10)4-3-6-13-9/h2-7H2,1H3
InChIKeyAMNIQLJWHNBSKA-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.60
Rot. Bonds4

About 2-(2-ethylsulfonylethyl)thiolane-2-carbonitrile

2-(2-ethylsulfonylethyl)thiolane-2-carbonitrile (PubChem CID 83174375) has the molecular formula C9H15NO2S2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(2-ethylsulfonylethyl)thiolane-2-carbonitrile.

Molecular Properties

Compound Name2-(2-ethylsulfonylethyl)thiolane-2-carbonitrile
PubChem CID83174375
Molecular FormulaC9H15NO2S2
Molecular Weight233.36 g/mol
Exact Mass233.05
IUPAC Name2-(2-ethylsulfonylethyl)thiolane-2-carbonitrile
SMILESCCS(=O)(=O)CCC1(C#N)CCCS1
InChIInChI=1S/C9H15NO2S2/c1-2-14(11,12)7-5-9(8-10)4-3-6-13-9/h2-7H2,1H3
InChIKeyAMNIQLJWHNBSKA-UHFFFAOYSA-N
XLogP1.60
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylsulfonylethyl)thiolane-2-carbonitrile
CID 83173275
2-(3-chloropropyl)thiolane-2-carbonitrile
CID 83261504
2-but-3-ynylthiolane-2-carbonitrile
CID 130514411
2-(2-methylprop-2-enyl)thiolane-2-carbonitrile
CID 130514399
2-[2-(4-nitrophenyl)ethyl]thiolane-2-carbonitrile
CID 83174283
2-[(2,6-dimethylphenyl)methyl]thiolane-2-carbonitrile
CID 83173743
[4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butyl]hydrazine
CID 105310945
1-(3-ethylsulfonylpropyl)-4-propylcyclohexane-1-carbonitrile
CID 65422906
(2R)-2-methylthiolane-2-carbonitrile
CID 97036581
2-methylthiolane-2-carbonitrile
CID 58894061
4-ethylsulfonyl-1-(2-methylthiolan-2-yl)-N-propylbutan-1-amine
CID 105152690
2-[(4-fluorophenyl)methyl]thiolane-2-carbonitrile
CID 83174463

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylethyl)thiolane-2-carbonitrile?
The IUPAC name of 2-(2-ethylsulfonylethyl)thiolane-2-carbonitrile (CID 83174375) is 2-(2-ethylsulfonylethyl)thiolane-2-carbonitrile.
What is the SMILES notation for 2-(2-ethylsulfonylethyl)thiolane-2-carbonitrile?
The canonical SMILES for 2-(2-ethylsulfonylethyl)thiolane-2-carbonitrile is CCS(=O)(=O)CCC1(C#N)CCCS1.
What is the InChIKey of 2-(2-ethylsulfonylethyl)thiolane-2-carbonitrile?
The InChIKey is AMNIQLJWHNBSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S2/c1-2-14(11,12)7-5-9(8-10)4-3-6-13-9/h2-7H2,1H3.
What are the key properties of 2-(2-ethylsulfonylethyl)thiolane-2-carbonitrile?
2-(2-ethylsulfonylethyl)thiolane-2-carbonitrile has a molecular weight of 233.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylethyl)thiolane-2-carbonitrile is sourced from PubChem (CID 83174375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).