3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carbonitrile

C9H13N3O2S2 — CID 103420922

IUPAC3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carbonitrile
SMILESCCN(C)c1sc(C#N)c(N)c1S(C)(=O)=O
InChIInChI=1S/C9H13N3O2S2/c1-4-12(2)9-8(16(3,13)14)7(11)6(5-10)15-9/h4,11H2,1-3H3
InChIKeyMTSNQGIWROTKNA-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.06
Rot. Bonds3

About 3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carbonitrile

3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carbonitrile (PubChem CID 103420922) has the molecular formula C9H13N3O2S2 and a molecular weight of 259.36 g/mol. Its IUPAC name is 3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carbonitrile
PubChem CID103420922
Molecular FormulaC9H13N3O2S2
Molecular Weight259.36 g/mol
Exact Mass259.04
IUPAC Name3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carbonitrile
SMILESCCN(C)c1sc(C#N)c(N)c1S(C)(=O)=O
InChIInChI=1S/C9H13N3O2S2/c1-4-12(2)9-8(16(3,13)14)7(11)6(5-10)15-9/h4,11H2,1-3H3
InChIKeyMTSNQGIWROTKNA-UHFFFAOYSA-N
XLogP1.06
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-[cyclohexylmethyl(methyl)amino]-4-methylsulfonylthiophene-2-carbonitrile
CID 103417947
3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-4-methylsulfonylthiophene-2-carbonitrile
CID 103509183
3-amino-5-[ethyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103420862
3-amino-5-[ethyl(methyl)amino]-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide
CID 103420941
[3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone
CID 103420887
3-amino-N-cyclopropyl-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carboxamide
CID 103420942
3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarbonitrile
CID 103509401
3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103420340
3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-4-ethylsulfonylthiophene-2-carbonitrile
CID 103508804
3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carbonitrile
CID 103425081
3-amino-5-(cyclopentylamino)-4-methylsulfonylthiophene-2-carbonitrile
CID 103423960
1-[3-amino-5-[cyclopropylmethyl(methyl)amino]-4-methylsulfonylthiophen-2-yl]ethanone
CID 103509618

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carbonitrile (CID 103420922) is 3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carbonitrile is CCN(C)c1sc(C#N)c(N)c1S(C)(=O)=O.
What is the InChIKey of 3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carbonitrile?
The InChIKey is MTSNQGIWROTKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S2/c1-4-12(2)9-8(16(3,13)14)7(11)6(5-10)15-9/h4,11H2,1-3H3.
What are the key properties of 3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carbonitrile?
3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carbonitrile has a molecular weight of 259.36 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carbonitrile is sourced from PubChem (CID 103420922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).