3-amino-N-cyclopropyl-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carboxamide

C12H19N3O3S2 — CID 103420942

IUPAC3-amino-N-cyclopropyl-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carboxamide
SMILESCCN(C)c1sc(C(=O)NC2CC2)c(N)c1S(C)(=O)=O
InChIInChI=1S/C12H19N3O3S2/c1-4-15(2)12-10(20(3,17)18)8(13)9(19-12)11(16)14-7-5-6-7/h7H,4-6,13H2,1-3H3,(H,14,16)
InChIKeyIHHXIEITVCRCOA-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.08
Rot. Bonds5

About 3-amino-N-cyclopropyl-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carboxamide

3-amino-N-cyclopropyl-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carboxamide (PubChem CID 103420942) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carboxamide
PubChem CID103420942
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC Name3-amino-N-cyclopropyl-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carboxamide
SMILESCCN(C)c1sc(C(=O)NC2CC2)c(N)c1S(C)(=O)=O
InChIInChI=1S/C12H19N3O3S2/c1-4-15(2)12-10(20(3,17)18)8(13)9(19-12)11(16)14-7-5-6-7/h7H,4-6,13H2,1-3H3,(H,14,16)
InChIKeyIHHXIEITVCRCOA-UHFFFAOYSA-N
XLogP1.08
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone
CID 103420887
3-amino-5-[ethyl(methyl)amino]-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide
CID 103420941
1-[3-amino-5-[cyclopropylmethyl(methyl)amino]-4-methylsulfonylthiophen-2-yl]ethanone
CID 103509618
3-amino-5-[butyl(methyl)amino]-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide
CID 103420432
3-amino-N-methyl-5-[methyl(3-methylbutyl)amino]-4-methylsulfonylthiophene-2-carboxamide
CID 103417812
3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]-N-methylthiophene-2-carboxamide
CID 103420939
3-amino-4-cyano-N-cyclopropyl-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide
CID 103422176
3-amino-N-cyclopropyl-5-[ethyl(propyl)amino]-4-methoxythiophene-2-carboxamide
CID 103421058
3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carbonitrile
CID 103420922
3-amino-5-[ethyl(2-methoxyethyl)amino]-N-methyl-4-methylsulfonylthiophene-2-carboxamide
CID 103526538
methyl 3-amino-5-(dimethylamino)-4-methylsulfonylthiophene-2-carboxylate
CID 103420197
methyl 3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfonylthiophene-2-carboxylate
CID 103417847

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carboxamide (CID 103420942) is 3-amino-N-cyclopropyl-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carboxamide is CCN(C)c1sc(C(=O)NC2CC2)c(N)c1S(C)(=O)=O.
What is the InChIKey of 3-amino-N-cyclopropyl-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carboxamide?
The InChIKey is IHHXIEITVCRCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-4-15(2)12-10(20(3,17)18)8(13)9(19-12)11(16)14-7-5-6-7/h7H,4-6,13H2,1-3H3,(H,14,16).
What are the key properties of 3-amino-N-cyclopropyl-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carboxamide?
3-amino-N-cyclopropyl-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 103420942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).