methyl 3-amino-4-carbamoyl-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxylate

C13H19N3O4S — CID 103418259

IUPACmethyl 3-amino-4-carbamoyl-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(N2CCCC(CO)C2)c(C(N)=O)c1N
InChIInChI=1S/C13H19N3O4S/c1-20-13(19)10-9(14)8(11(15)18)12(21-10)16-4-2-3-7(5-16)6-17/h7,17H,2-6,14H2,1H3,(H2,15,18)
InChIKeyFQHMSHVYAPIIHY-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.42
Rot. Bonds4

About methyl 3-amino-4-carbamoyl-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxylate

methyl 3-amino-4-carbamoyl-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxylate (PubChem CID 103418259) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is methyl 3-amino-4-carbamoyl-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-carbamoyl-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxylate
PubChem CID103418259
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Namemethyl 3-amino-4-carbamoyl-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(N2CCCC(CO)C2)c(C(N)=O)c1N
InChIInChI=1S/C13H19N3O4S/c1-20-13(19)10-9(14)8(11(15)18)12(21-10)16-4-2-3-7(5-16)6-17/h7,17H,2-6,14H2,1H3,(H2,15,18)
InChIKeyFQHMSHVYAPIIHY-UHFFFAOYSA-N
XLogP0.42
TPSA118.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 3-amino-4-carbamoyl-5-[3-(hydroxymethyl)piperidin-1-yl]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

methyl 3-amino-5-(3-aminopyrrolidin-1-yl)-4-carbamoylthiophene-2-carboxylate
CID 103525742
methyl 3-amino-5-(azepan-1-yl)-4-carbamoylthiophene-2-carboxylate
CID 103419607
3-amino-4-cyano-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxamide
CID 103418253
ethyl 3-amino-4-carbamoyl-5-(3-methylpiperidin-1-yl)thiophene-2-carboxylate
CID 103419510
methyl 3-amino-4-carbamoyl-5-morpholin-4-ylthiophene-2-carboxylate
CID 103419080
methyl 4-amino-5-cyano-2-(3-ethylpiperidin-1-yl)thiophene-3-carboxylate
CID 103509083
methyl 2-[3-(hydroxymethyl)piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569455
4-amino-5-(cyclopropanecarbonyl)-2-[3-(hydroxymethyl)piperidin-1-yl]thiophene-3-carbonitrile
CID 103418224
methyl 4-amino-2-(4-aminopiperidin-1-yl)-5-carbamoylthiophene-3-carboxylate
CID 103525672
methyl 4-amino-5-carbamoyl-2-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-3-carboxylate
CID 103421979
4-amino-5-cyano-2-(3-methoxypiperidin-1-yl)thiophene-3-carboxamide
CID 103507608
3-amino-5-(3-aminopyrrolidin-1-yl)-2-N-methylthiophene-2,4-dicarboxamide
CID 103525709

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-carbamoyl-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-4-carbamoyl-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxylate (CID 103418259) is methyl 3-amino-4-carbamoyl-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-carbamoyl-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-carbamoyl-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxylate is COC(=O)c1sc(N2CCCC(CO)C2)c(C(N)=O)c1N.
What is the InChIKey of methyl 3-amino-4-carbamoyl-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxylate?
The InChIKey is FQHMSHVYAPIIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-20-13(19)10-9(14)8(11(15)18)12(21-10)16-4-2-3-7(5-16)6-17/h7,17H,2-6,14H2,1H3,(H2,15,18).
What are the key properties of methyl 3-amino-4-carbamoyl-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxylate?
methyl 3-amino-4-carbamoyl-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxylate has a molecular weight of 313.38 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-carbamoyl-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxylate is sourced from PubChem (CID 103418259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).