methyl 5-acetyl-4-amino-2-[(4-methylcyclohexyl)amino]thiophene-3-carboxylate

C15H22N2O3S — CID 103426561

IUPACmethyl 5-acetyl-4-amino-2-[(4-methylcyclohexyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC2CCC(C)CC2)sc(C(C)=O)c1N
InChIInChI=1S/C15H22N2O3S/c1-8-4-6-10(7-5-8)17-14-11(15(19)20-3)12(16)13(21-14)9(2)18/h8,10,17H,4-7,16H2,1-3H3
InChIKeyYLOHJBDMWKZGIW-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.31
Rot. Bonds4

About methyl 5-acetyl-4-amino-2-[(4-methylcyclohexyl)amino]thiophene-3-carboxylate

methyl 5-acetyl-4-amino-2-[(4-methylcyclohexyl)amino]thiophene-3-carboxylate (PubChem CID 103426561) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is methyl 5-acetyl-4-amino-2-[(4-methylcyclohexyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetyl-4-amino-2-[(4-methylcyclohexyl)amino]thiophene-3-carboxylate
PubChem CID103426561
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Namemethyl 5-acetyl-4-amino-2-[(4-methylcyclohexyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC2CCC(C)CC2)sc(C(C)=O)c1N
InChIInChI=1S/C15H22N2O3S/c1-8-4-6-10(7-5-8)17-14-11(15(19)20-3)12(16)13(21-14)9(2)18/h8,10,17H,4-7,16H2,1-3H3
InChIKeyYLOHJBDMWKZGIW-UHFFFAOYSA-N
XLogP3.31
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 5-acetyl-4-amino-2-[(4-methylcyclohexyl)amino]thiophene-3-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

methyl 5-acetyl-4-amino-2-[(4-hydroxycyclohexyl)amino]thiophene-3-carboxylate
CID 103424711
dimethyl 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxylate
CID 103423919
methyl 5-acetyl-4-amino-2-(1-cyclopropylethylamino)thiophene-3-carboxylate
CID 103427566
methyl 5-acetyl-4-amino-2-(dicyclopropylmethylamino)thiophene-3-carboxylate
CID 103508542
dimethyl 3-amino-5-[(2-methylcyclopropyl)amino]thiophene-2,4-dicarboxylate
CID 103526057
ethyl 4-amino-5-carbamoyl-2-(cyclopropylamino)thiophene-3-carboxylate
CID 103423694
methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(methylamino)thiophene-3-carboxylate
CID 103424181
ethyl 3-amino-5-(cyclopropylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103423708
methyl 5-acetyl-4-amino-2-(pentylamino)thiophene-3-carboxylate
CID 103425363
1-[3-amino-4-methoxy-5-(piperidin-4-ylamino)thiophen-2-yl]ethanone
CID 103525555
methyl 4-amino-2-(butylamino)-5-(cyclopropylcarbamoyl)thiophene-3-carboxylate
CID 103425212
dimethyl 3-amino-5-(1-cyclopropylethylamino)thiophene-2,4-dicarboxylate
CID 103427567

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetyl-4-amino-2-[(4-methylcyclohexyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 5-acetyl-4-amino-2-[(4-methylcyclohexyl)amino]thiophene-3-carboxylate (CID 103426561) is methyl 5-acetyl-4-amino-2-[(4-methylcyclohexyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 5-acetyl-4-amino-2-[(4-methylcyclohexyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 5-acetyl-4-amino-2-[(4-methylcyclohexyl)amino]thiophene-3-carboxylate is COC(=O)c1c(NC2CCC(C)CC2)sc(C(C)=O)c1N.
What is the InChIKey of methyl 5-acetyl-4-amino-2-[(4-methylcyclohexyl)amino]thiophene-3-carboxylate?
The InChIKey is YLOHJBDMWKZGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-8-4-6-10(7-5-8)17-14-11(15(19)20-3)12(16)13(21-14)9(2)18/h8,10,17H,4-7,16H2,1-3H3.
What are the key properties of methyl 5-acetyl-4-amino-2-[(4-methylcyclohexyl)amino]thiophene-3-carboxylate?
methyl 5-acetyl-4-amino-2-[(4-methylcyclohexyl)amino]thiophene-3-carboxylate has a molecular weight of 310.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetyl-4-amino-2-[(4-methylcyclohexyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 103426561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).