3-amino-N-methyl-5-(4-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide

C13H21N3OS2 — CID 103418839

IUPAC3-amino-N-methyl-5-(4-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(N2CCC(C)CC2)c(SC)c1N
InChIInChI=1S/C13H21N3OS2/c1-8-4-6-16(7-5-8)13-11(18-3)9(14)10(19-13)12(17)15-2/h8H,4-7,14H2,1-3H3,(H,15,17)
InChIKeySDUHWOISIULZAG-UHFFFAOYSA-N
MW299.47 g/mol
LogP2.65
Rot. Bonds3

About 3-amino-N-methyl-5-(4-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide

3-amino-N-methyl-5-(4-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide (PubChem CID 103418839) has the molecular formula C13H21N3OS2 and a molecular weight of 299.47 g/mol. Its IUPAC name is 3-amino-N-methyl-5-(4-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-(4-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
PubChem CID103418839
Molecular FormulaC13H21N3OS2
Molecular Weight299.47 g/mol
Exact Mass299.11
IUPAC Name3-amino-N-methyl-5-(4-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(N2CCC(C)CC2)c(SC)c1N
InChIInChI=1S/C13H21N3OS2/c1-8-4-6-16(7-5-8)13-11(18-3)9(14)10(19-13)12(17)15-2/h8H,4-7,14H2,1-3H3,(H,15,17)
InChIKeySDUHWOISIULZAG-UHFFFAOYSA-N
XLogP2.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(4-methoxypiperidin-1-yl)-N-methyl-4-methylsulfanylthiophene-2-carboxamide
CID 103508860
3-amino-5-[4-(hydroxymethyl)piperidin-1-yl]-N-methyl-4-methylsulfanylthiophene-2-carboxamide
CID 103418336
3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-4-methylsulfanylthiophene-2-carboxamide
CID 103421986
3-amino-5-(3-hydroxypiperidin-1-yl)-N-methyl-4-methylsulfanylthiophene-2-carboxamide
CID 103417570
3-amino-N-methyl-4-methylsulfanyl-5-(1,4-thiazepan-4-yl)thiophene-2-carboxamide
CID 103418099
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-N-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103421659
methyl 3-amino-5-(3,4-dimethylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate
CID 103507217
3-amino-5-(4-tert-butylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103509494
3-amino-4-N-methyl-5-(4-methylazepan-1-yl)thiophene-2,4-dicarboxamide
CID 103422098
3-amino-N-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103505566

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-(4-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-(4-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide (CID 103418839) is 3-amino-N-methyl-5-(4-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-(4-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-(4-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide is CNC(=O)c1sc(N2CCC(C)CC2)c(SC)c1N.
What is the InChIKey of 3-amino-N-methyl-5-(4-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide?
The InChIKey is SDUHWOISIULZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS2/c1-8-4-6-16(7-5-8)13-11(18-3)9(14)10(19-13)12(17)15-2/h8H,4-7,14H2,1-3H3,(H,15,17).
What are the key properties of 3-amino-N-methyl-5-(4-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide?
3-amino-N-methyl-5-(4-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide has a molecular weight of 299.47 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-(4-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 103418839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).