5-(2,3-dimethylthiomorpholin-4-yl)sulfonylthiophene-2-carbonitrile

C11H14N2O2S3 — CID 106269142

IUPAC5-(2,3-dimethylthiomorpholin-4-yl)sulfonylthiophene-2-carbonitrile
SMILESCC1SCCN(S(=O)(=O)c2ccc(C#N)s2)C1C
InChIInChI=1S/C11H14N2O2S3/c1-8-9(2)16-6-5-13(8)18(14,15)11-4-3-10(7-12)17-11/h3-4,8-9H,5-6H2,1-2H3
InChIKeyHUUUVKBWFXHTAX-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.13
Rot. Bonds2

About 5-(2,3-dimethylthiomorpholin-4-yl)sulfonylthiophene-2-carbonitrile

5-(2,3-dimethylthiomorpholin-4-yl)sulfonylthiophene-2-carbonitrile (PubChem CID 106269142) has the molecular formula C11H14N2O2S3 and a molecular weight of 302.45 g/mol. Its IUPAC name is 5-(2,3-dimethylthiomorpholin-4-yl)sulfonylthiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(2,3-dimethylthiomorpholin-4-yl)sulfonylthiophene-2-carbonitrile
PubChem CID106269142
Molecular FormulaC11H14N2O2S3
Molecular Weight302.45 g/mol
Exact Mass302.02
IUPAC Name5-(2,3-dimethylthiomorpholin-4-yl)sulfonylthiophene-2-carbonitrile
SMILESCC1SCCN(S(=O)(=O)c2ccc(C#N)s2)C1C
InChIInChI=1S/C11H14N2O2S3/c1-8-9(2)16-6-5-13(8)18(14,15)11-4-3-10(7-12)17-11/h3-4,8-9H,5-6H2,1-2H3
InChIKeyHUUUVKBWFXHTAX-UHFFFAOYSA-N
XLogP2.13
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophene-2-carbonitrile
CID 106273020
5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106266846
5-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 114166105
5-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106267960
5-(4-ethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 114166176
5-(4-methylazepan-1-yl)sulfonylthiophene-2-carbonitrile
CID 114166259
2,3-dimethyl-4-(2-methylphenyl)sulfonylthiomorpholine
CID 115671977
5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophene-2-carbonitrile
CID 114166904
1-(5-cyanothiophen-2-yl)sulfonylpiperazine-2-carbonitrile
CID 106272927
1-(5-cyanothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
CID 114165885
4-(2-bromophenyl)sulfonyl-2,3-dimethylthiomorpholine
CID 115634660
1-(5-cyanothiophen-2-yl)sulfonyl-6-methylpiperidine-3-carboxamide
CID 106267798

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylthiomorpholin-4-yl)sulfonylthiophene-2-carbonitrile?
The IUPAC name of 5-(2,3-dimethylthiomorpholin-4-yl)sulfonylthiophene-2-carbonitrile (CID 106269142) is 5-(2,3-dimethylthiomorpholin-4-yl)sulfonylthiophene-2-carbonitrile.
What is the SMILES notation for 5-(2,3-dimethylthiomorpholin-4-yl)sulfonylthiophene-2-carbonitrile?
The canonical SMILES for 5-(2,3-dimethylthiomorpholin-4-yl)sulfonylthiophene-2-carbonitrile is CC1SCCN(S(=O)(=O)c2ccc(C#N)s2)C1C.
What is the InChIKey of 5-(2,3-dimethylthiomorpholin-4-yl)sulfonylthiophene-2-carbonitrile?
The InChIKey is HUUUVKBWFXHTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S3/c1-8-9(2)16-6-5-13(8)18(14,15)11-4-3-10(7-12)17-11/h3-4,8-9H,5-6H2,1-2H3.
What are the key properties of 5-(2,3-dimethylthiomorpholin-4-yl)sulfonylthiophene-2-carbonitrile?
5-(2,3-dimethylthiomorpholin-4-yl)sulfonylthiophene-2-carbonitrile has a molecular weight of 302.45 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylthiomorpholin-4-yl)sulfonylthiophene-2-carbonitrile is sourced from PubChem (CID 106269142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).