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

C14H21N3O3S — CID 103419510

IUPACethyl 3-amino-4-carbamoyl-5-(3-methylpiperidin-1-yl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(N2CCCC(C)C2)c(C(N)=O)c1N
InChIInChI=1S/C14H21N3O3S/c1-3-20-14(19)11-10(15)9(12(16)18)13(21-11)17-6-4-5-8(2)7-17/h8H,3-7,15H2,1-2H3,(H2,16,18)
InChIKeyTZWMPPFZWCIKFF-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.84
Rot. Bonds4

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

ethyl 3-amino-4-carbamoyl-5-(3-methylpiperidin-1-yl)thiophene-2-carboxylate (PubChem CID 103419510) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is ethyl 3-amino-4-carbamoyl-5-(3-methylpiperidin-1-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-carbamoyl-5-(3-methylpiperidin-1-yl)thiophene-2-carboxylate
PubChem CID103419510
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Nameethyl 3-amino-4-carbamoyl-5-(3-methylpiperidin-1-yl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(N2CCCC(C)C2)c(C(N)=O)c1N
InChIInChI=1S/C14H21N3O3S/c1-3-20-14(19)11-10(15)9(12(16)18)13(21-11)17-6-4-5-8(2)7-17/h8H,3-7,15H2,1-2H3,(H2,16,18)
InChIKeyTZWMPPFZWCIKFF-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 5-acetyl-4-amino-2-(3-methylpiperidin-1-yl)thiophene-3-carboxylate
CID 103419474
methyl 3-amino-4-carbamoyl-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxylate
CID 103418259
ethyl 4-amino-5-carbamoyl-2-(4-methylpiperidin-1-yl)thiophene-3-carboxylate
CID 103418841
ethyl 3-amino-4-methoxy-5-(4-methylazepan-1-yl)thiophene-2-carboxylate
CID 103422055
ethyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 60528785
methyl 3-amino-5-(azepan-1-yl)-4-carbamoylthiophene-2-carboxylate
CID 103419607
methyl 3-amino-5-(3-aminopyrrolidin-1-yl)-4-carbamoylthiophene-2-carboxylate
CID 103525742
methyl 3-amino-4-(methylcarbamoyl)-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxylate
CID 103509689
3-amino-4-N-methyl-5-(4-methylazepan-1-yl)thiophene-2,4-dicarboxamide
CID 103422098
ethyl 4-amino-5-carbamoyl-2-thiomorpholin-4-ylthiophene-3-carboxylate
CID 103418440
ethyl 3-amino-4-cyclopropyl-5-(4-methylpiperidin-1-yl)thiophene-2-carboxylate
CID 103418809
ethyl 3-amino-4-carbamoyl-5-[(1-methylpyrrolidin-3-yl)amino]thiophene-2-carboxylate
CID 103508099

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-carbamoyl-5-(3-methylpiperidin-1-yl)thiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-4-carbamoyl-5-(3-methylpiperidin-1-yl)thiophene-2-carboxylate (CID 103419510) is ethyl 3-amino-4-carbamoyl-5-(3-methylpiperidin-1-yl)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-carbamoyl-5-(3-methylpiperidin-1-yl)thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-4-carbamoyl-5-(3-methylpiperidin-1-yl)thiophene-2-carboxylate is CCOC(=O)c1sc(N2CCCC(C)C2)c(C(N)=O)c1N.
What is the InChIKey of ethyl 3-amino-4-carbamoyl-5-(3-methylpiperidin-1-yl)thiophene-2-carboxylate?
The InChIKey is TZWMPPFZWCIKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-3-20-14(19)11-10(15)9(12(16)18)13(21-11)17-6-4-5-8(2)7-17/h8H,3-7,15H2,1-2H3,(H2,16,18).
What are the key properties of ethyl 3-amino-4-carbamoyl-5-(3-methylpiperidin-1-yl)thiophene-2-carboxylate?
ethyl 3-amino-4-carbamoyl-5-(3-methylpiperidin-1-yl)thiophene-2-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 3-amino-4-carbamoyl-5-(3-methylpiperidin-1-yl)thiophene-2-carboxylate is sourced from PubChem (CID 103419510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).