3-amino-N-ethyl-5-[3-(hydroxymethyl)piperidin-1-yl]-4-methylsulfanylthiophene-2-carboxamide

C14H23N3O2S2 — CID 103418251

IUPAC3-amino-N-ethyl-5-[3-(hydroxymethyl)piperidin-1-yl]-4-methylsulfanylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N2CCCC(CO)C2)c(SC)c1N
InChIInChI=1S/C14H23N3O2S2/c1-3-16-13(19)11-10(15)12(20-2)14(21-11)17-6-4-5-9(7-17)8-18/h9,18H,3-8,15H2,1-2H3,(H,16,19)
InChIKeyASVIAWLITLMZMA-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.01
Rot. Bonds5

About 3-amino-N-ethyl-5-[3-(hydroxymethyl)piperidin-1-yl]-4-methylsulfanylthiophene-2-carboxamide

3-amino-N-ethyl-5-[3-(hydroxymethyl)piperidin-1-yl]-4-methylsulfanylthiophene-2-carboxamide (PubChem CID 103418251) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 3-amino-N-ethyl-5-[3-(hydroxymethyl)piperidin-1-yl]-4-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-5-[3-(hydroxymethyl)piperidin-1-yl]-4-methylsulfanylthiophene-2-carboxamide
PubChem CID103418251
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC Name3-amino-N-ethyl-5-[3-(hydroxymethyl)piperidin-1-yl]-4-methylsulfanylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N2CCCC(CO)C2)c(SC)c1N
InChIInChI=1S/C14H23N3O2S2/c1-3-16-13(19)11-10(15)12(20-2)14(21-11)17-6-4-5-9(7-17)8-18/h9,18H,3-8,15H2,1-2H3,(H,16,19)
InChIKeyASVIAWLITLMZMA-UHFFFAOYSA-N
XLogP2.01
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-ethyl-5-[3-(hydroxymethyl)piperidin-1-yl]-4-methylsulfanylthiophene-2-carboxamide 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

1-[3-amino-5-(3-ethylpiperidin-1-yl)-4-methylsulfanylthiophen-2-yl]ethanone
CID 103509067
3-amino-N-ethyl-5-(4-ethylpiperazin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103418732
3-amino-N-ethyl-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103506559
3-amino-5-[4-(hydroxymethyl)piperidin-1-yl]-N-methyl-4-methylsulfanylthiophene-2-carboxamide
CID 103418336
3-amino-5-(3-hydroxypiperidin-1-yl)-N-methyl-4-methylsulfanylthiophene-2-carboxamide
CID 103417570
3-amino-N-ethyl-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103417310
methyl 3-amino-5-(3-methoxypiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate
CID 103507572
3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103506771
3-amino-5-(4-methylpiperazin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103419384
3-amino-5-(3-methylpyrrolidin-1-yl)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
CID 103509809
3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide
CID 103419637
3-amino-4-cyano-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxamide
CID 103418253

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-5-[3-(hydroxymethyl)piperidin-1-yl]-4-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-ethyl-5-[3-(hydroxymethyl)piperidin-1-yl]-4-methylsulfanylthiophene-2-carboxamide (CID 103418251) is 3-amino-N-ethyl-5-[3-(hydroxymethyl)piperidin-1-yl]-4-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-5-[3-(hydroxymethyl)piperidin-1-yl]-4-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-5-[3-(hydroxymethyl)piperidin-1-yl]-4-methylsulfanylthiophene-2-carboxamide is CCNC(=O)c1sc(N2CCCC(CO)C2)c(SC)c1N.
What is the InChIKey of 3-amino-N-ethyl-5-[3-(hydroxymethyl)piperidin-1-yl]-4-methylsulfanylthiophene-2-carboxamide?
The InChIKey is ASVIAWLITLMZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-3-16-13(19)11-10(15)12(20-2)14(21-11)17-6-4-5-9(7-17)8-18/h9,18H,3-8,15H2,1-2H3,(H,16,19).
What are the key properties of 3-amino-N-ethyl-5-[3-(hydroxymethyl)piperidin-1-yl]-4-methylsulfanylthiophene-2-carboxamide?
3-amino-N-ethyl-5-[3-(hydroxymethyl)piperidin-1-yl]-4-methylsulfanylthiophene-2-carboxamide has a molecular weight of 329.49 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-5-[3-(hydroxymethyl)piperidin-1-yl]-4-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 103418251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).