3-amino-5-(2-methylsulfonylethylamino)thiophene-2-carbonitrile

C8H11N3O2S2 — CID 103432311

IUPAC3-amino-5-(2-methylsulfonylethylamino)thiophene-2-carbonitrile
SMILESCS(=O)(=O)CCNc1cc(N)c(C#N)s1
InChIInChI=1S/C8H11N3O2S2/c1-15(12,13)3-2-11-8-4-6(10)7(5-9)14-8/h4,11H,2-3,10H2,1H3
InChIKeyFHITVNPSOANDIM-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.66
Rot. Bonds4

About 3-amino-5-(2-methylsulfonylethylamino)thiophene-2-carbonitrile

3-amino-5-(2-methylsulfonylethylamino)thiophene-2-carbonitrile (PubChem CID 103432311) has the molecular formula C8H11N3O2S2 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-amino-5-(2-methylsulfonylethylamino)thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(2-methylsulfonylethylamino)thiophene-2-carbonitrile
PubChem CID103432311
Molecular FormulaC8H11N3O2S2
Molecular Weight245.33 g/mol
Exact Mass245.03
IUPAC Name3-amino-5-(2-methylsulfonylethylamino)thiophene-2-carbonitrile
SMILESCS(=O)(=O)CCNc1cc(N)c(C#N)s1
InChIInChI=1S/C8H11N3O2S2/c1-15(12,13)3-2-11-8-4-6(10)7(5-9)14-8/h4,11H,2-3,10H2,1H3
InChIKeyFHITVNPSOANDIM-UHFFFAOYSA-N
XLogP0.66
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile
CID 103424676
3-amino-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
CID 103432235
3-amino-N-cyclopropyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
CID 103432236
5-N-(2-methylsulfonylethyl)-1,2-thiazole-3,5-diamine
CID 103364233
methyl 4-amino-5-cyano-2-(2-methylsulfonylethylamino)thiophene-3-carboxylate
CID 103432229
3-amino-5-[(2,4-difluorophenyl)methylamino]thiophene-2-carbonitrile
CID 103525851
4-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine
CID 60918123
3-amino-5-(2-methylsulfonylethylamino)-1,2-thiazole-4-carbonitrile
CID 103383141
3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile
CID 103426608
2-(2-methylsulfonylethylamino)pyridine-4-carbonitrile
CID 60917893
5-[(2-methylsulfonylethylamino)methyl]thiophene-3-carbonitrile
CID 79553701
2-(4-cyanophenyl)-N-(2-methylsulfonylethyl)acetamide
CID 55209905

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-methylsulfonylethylamino)thiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(2-methylsulfonylethylamino)thiophene-2-carbonitrile (CID 103432311) is 3-amino-5-(2-methylsulfonylethylamino)thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(2-methylsulfonylethylamino)thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(2-methylsulfonylethylamino)thiophene-2-carbonitrile is CS(=O)(=O)CCNc1cc(N)c(C#N)s1.
What is the InChIKey of 3-amino-5-(2-methylsulfonylethylamino)thiophene-2-carbonitrile?
The InChIKey is FHITVNPSOANDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S2/c1-15(12,13)3-2-11-8-4-6(10)7(5-9)14-8/h4,11H,2-3,10H2,1H3.
What are the key properties of 3-amino-5-(2-methylsulfonylethylamino)thiophene-2-carbonitrile?
3-amino-5-(2-methylsulfonylethylamino)thiophene-2-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-methylsulfonylethylamino)thiophene-2-carbonitrile is sourced from PubChem (CID 103432311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).