Skip to content

Methyl 3-amino-5-(3,4-dimethylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate

C14H22N2O2S2 — CID 103507217

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACmethyl 3-amino-5-(3,4-dimethylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(N2CCC(C)C(C)C2)c(SC)c1N
InChIInChI=1S/C14H22N2O2S2/c1-8-5-6-16(7-9(8)2)13-11(19-4)10(15)12(20-13)14(17)18-3/h8-9H,5-7,15H2,1-4H3
InChIKeyBJUWVLBDKCZFFJ-UHFFFAOYSA-N
MW314.48 g/mol
LogP3.32
Rot. Bonds3

About Methyl 3-amino-5-(3,4-dimethylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate

Methyl 3-amino-5-(3,4-dimethylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate (PubChem CID 103507217) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is methyl 3-amino-5-(3,4-dimethylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate.

Molecular Properties

Compound NameMethyl 3-amino-5-(3,4-dimethylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate
PubChem CID103507217
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC Namemethyl 3-amino-5-(3,4-dimethylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(N2CCC(C)C(C)C2)c(SC)c1N
InChIInChI=1S/C14H22N2O2S2/c1-8-5-6-16(7-9(8)2)13-11(19-4)10(15)12(20-13)14(17)18-3/h8-9H,5-7,15H2,1-4H3
InChIKeyBJUWVLBDKCZFFJ-UHFFFAOYSA-N
XLogP3.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze Methyl 3-amino-5-(3,4-dimethylpiperidin-1-yl)-4-methylsulfanylthiophene-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

Frequently Asked Questions

What is the IUPAC name of Methyl 3-amino-5-(3,4-dimethylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate?
The IUPAC name of Methyl 3-amino-5-(3,4-dimethylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate (CID 103507217) is methyl 3-amino-5-(3,4-dimethylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate.
What is the SMILES notation for Methyl 3-amino-5-(3,4-dimethylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate?
The canonical SMILES for Methyl 3-amino-5-(3,4-dimethylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate is COC(=O)c1sc(N2CCC(C)C(C)C2)c(SC)c1N.
What is the InChIKey of Methyl 3-amino-5-(3,4-dimethylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate?
The InChIKey is BJUWVLBDKCZFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-8-5-6-16(7-9(8)2)13-11(19-4)10(15)12(20-13)14(17)18-3/h8-9H,5-7,15H2,1-4H3.
What are the key properties of Methyl 3-amino-5-(3,4-dimethylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate?
Methyl 3-amino-5-(3,4-dimethylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate has a molecular weight of 314.48 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 3-amino-5-(3,4-dimethylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate is sourced from PubChem (CID 103507217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.