ethyl 4-amino-5-carbamoyl-2-(4-methylpiperidin-1-yl)thiophene-3-carboxylate

C14H21N3O3S — CID 103418841

IUPACethyl 4-amino-5-carbamoyl-2-(4-methylpiperidin-1-yl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(N2CCC(C)CC2)sc(C(N)=O)c1N
InChIInChI=1S/C14H21N3O3S/c1-3-20-14(19)9-10(15)11(12(16)18)21-13(9)17-6-4-8(2)5-7-17/h8H,3-7,15H2,1-2H3,(H2,16,18)
InChIKeyIAICGRROBKMOLT-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.84
Rot. Bonds4

About ethyl 4-amino-5-carbamoyl-2-(4-methylpiperidin-1-yl)thiophene-3-carboxylate

ethyl 4-amino-5-carbamoyl-2-(4-methylpiperidin-1-yl)thiophene-3-carboxylate (PubChem CID 103418841) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is ethyl 4-amino-5-carbamoyl-2-(4-methylpiperidin-1-yl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-5-carbamoyl-2-(4-methylpiperidin-1-yl)thiophene-3-carboxylate
PubChem CID103418841
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Nameethyl 4-amino-5-carbamoyl-2-(4-methylpiperidin-1-yl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(N2CCC(C)CC2)sc(C(N)=O)c1N
InChIInChI=1S/C14H21N3O3S/c1-3-20-14(19)9-10(15)11(12(16)18)21-13(9)17-6-4-8(2)5-7-17/h8H,3-7,15H2,1-2H3,(H2,16,18)
InChIKeyIAICGRROBKMOLT-UHFFFAOYSA-N
XLogP1.84
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-amino-5-carbamoyl-2-thiomorpholin-4-ylthiophene-3-carboxylate
CID 103418440
5-acetyl-4-amino-2-(4-methylpiperidin-1-yl)thiophene-3-carboxamide
CID 103418844
ethyl 3-amino-4-cyclopropyl-5-(4-methylpiperidin-1-yl)thiophene-2-carboxylate
CID 103418809
methyl 4-amino-2-(4-aminopiperidin-1-yl)-5-carbamoylthiophene-3-carboxylate
CID 103525672
ethyl 5-acetyl-4-amino-2-(3-methylpiperidin-1-yl)thiophene-3-carboxylate
CID 103419474
ethyl 3-amino-4-carbamoyl-5-(3-methylpiperidin-1-yl)thiophene-2-carboxylate
CID 103419510
3-amino-4-N-methyl-5-(4-methylazepan-1-yl)thiophene-2,4-dicarboxamide
CID 103422098
4-O-ethyl 2-O-methyl 3-amino-5-thiomorpholin-4-ylthiophene-2,4-dicarboxylate
CID 103418425
3-amino-5-(4-propan-2-ylpiperidin-1-yl)thiophene-2,4-dicarboxamide
CID 103526786
ethyl 3-amino-4-methoxy-5-(4-methylazepan-1-yl)thiophene-2-carboxylate
CID 103422055
methyl 4-amino-5-carbamoyl-2-thiomorpholin-4-ylthiophene-3-carboxylate
CID 103418422
ethyl 5-acetyl-4-amino-2-(3,4-dihydroxypyrrolidin-1-yl)thiophene-3-carboxylate
CID 106675035

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-5-carbamoyl-2-(4-methylpiperidin-1-yl)thiophene-3-carboxylate?
The IUPAC name of ethyl 4-amino-5-carbamoyl-2-(4-methylpiperidin-1-yl)thiophene-3-carboxylate (CID 103418841) is ethyl 4-amino-5-carbamoyl-2-(4-methylpiperidin-1-yl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-5-carbamoyl-2-(4-methylpiperidin-1-yl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-amino-5-carbamoyl-2-(4-methylpiperidin-1-yl)thiophene-3-carboxylate is CCOC(=O)c1c(N2CCC(C)CC2)sc(C(N)=O)c1N.
What is the InChIKey of ethyl 4-amino-5-carbamoyl-2-(4-methylpiperidin-1-yl)thiophene-3-carboxylate?
The InChIKey is IAICGRROBKMOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-3-20-14(19)9-10(15)11(12(16)18)21-13(9)17-6-4-8(2)5-7-17/h8H,3-7,15H2,1-2H3,(H2,16,18).
What are the key properties of ethyl 4-amino-5-carbamoyl-2-(4-methylpiperidin-1-yl)thiophene-3-carboxylate?
ethyl 4-amino-5-carbamoyl-2-(4-methylpiperidin-1-yl)thiophene-3-carboxylate has a molecular weight of 311.41 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-5-carbamoyl-2-(4-methylpiperidin-1-yl)thiophene-3-carboxylate is sourced from PubChem (CID 103418841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).