ethyl 3-amino-4-methylsulfonyl-5-(propan-2-ylamino)thiophene-2-carboxylate

C11H18N2O4S2 — CID 103423283

IUPACethyl 3-amino-4-methylsulfonyl-5-(propan-2-ylamino)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(C)C)c(S(C)(=O)=O)c1N
InChIInChI=1S/C11H18N2O4S2/c1-5-17-11(14)8-7(12)9(19(4,15)16)10(18-8)13-6(2)3/h6,13H,5,12H2,1-4H3
InChIKeyJFPPIZCKCPKPAI-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.73
Rot. Bonds5

About ethyl 3-amino-4-methylsulfonyl-5-(propan-2-ylamino)thiophene-2-carboxylate

ethyl 3-amino-4-methylsulfonyl-5-(propan-2-ylamino)thiophene-2-carboxylate (PubChem CID 103423283) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is ethyl 3-amino-4-methylsulfonyl-5-(propan-2-ylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-methylsulfonyl-5-(propan-2-ylamino)thiophene-2-carboxylate
PubChem CID103423283
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC Nameethyl 3-amino-4-methylsulfonyl-5-(propan-2-ylamino)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(C)C)c(S(C)(=O)=O)c1N
InChIInChI=1S/C11H18N2O4S2/c1-5-17-11(14)8-7(12)9(19(4,15)16)10(18-8)13-6(2)3/h6,13H,5,12H2,1-4H3
InChIKeyJFPPIZCKCPKPAI-UHFFFAOYSA-N
XLogP1.73
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 3-amino-4-methylsulfonyl-5-(propan-2-ylamino)thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-amino-5-(3-methylbutylamino)-4-methylsulfonylthiophene-2-carboxylate
CID 103425653
ethyl 3-amino-4-methylsulfonyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxylate
CID 103425844
methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carboxylate
CID 103425062
ethyl 3-amino-4-cyclopropyl-5-(propan-2-ylamino)thiophene-2-carboxylate
CID 103423228
3-amino-5-(butan-2-ylamino)-N-ethyl-4-methylsulfonylthiophene-2-carboxamide
CID 103423583
3-amino-N-ethyl-5-(3-methylbutan-2-ylamino)-4-methylsulfonylthiophene-2-carboxamide
CID 103426936
diethyl 3-amino-5-(butan-2-ylamino)thiophene-2,4-dicarboxylate
CID 103423559
3-amino-5-(1-methoxybutan-2-ylamino)-N-methyl-4-methylsulfonylthiophene-2-carboxamide
CID 103508194
methyl 3-amino-5-(butylamino)-4-methylsulfonylthiophene-2-carboxylate
CID 103425238
3-amino-4-methylsulfonyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide
CID 103506464
3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophene-2-carboxamide
CID 103506984
1-[3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophen-2-yl]ethanone
CID 103506973

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-methylsulfonyl-5-(propan-2-ylamino)thiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-4-methylsulfonyl-5-(propan-2-ylamino)thiophene-2-carboxylate (CID 103423283) is ethyl 3-amino-4-methylsulfonyl-5-(propan-2-ylamino)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-methylsulfonyl-5-(propan-2-ylamino)thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-4-methylsulfonyl-5-(propan-2-ylamino)thiophene-2-carboxylate is CCOC(=O)c1sc(NC(C)C)c(S(C)(=O)=O)c1N.
What is the InChIKey of ethyl 3-amino-4-methylsulfonyl-5-(propan-2-ylamino)thiophene-2-carboxylate?
The InChIKey is JFPPIZCKCPKPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-5-17-11(14)8-7(12)9(19(4,15)16)10(18-8)13-6(2)3/h6,13H,5,12H2,1-4H3.
What are the key properties of ethyl 3-amino-4-methylsulfonyl-5-(propan-2-ylamino)thiophene-2-carboxylate?
ethyl 3-amino-4-methylsulfonyl-5-(propan-2-ylamino)thiophene-2-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-methylsulfonyl-5-(propan-2-ylamino)thiophene-2-carboxylate is sourced from PubChem (CID 103423283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).