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

C14H23N3O2S2 — CID 103506559

IUPAC3-amino-N-ethyl-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N2CCCC(C)(O)C2)c(SC)c1N
InChIInChI=1S/C14H23N3O2S2/c1-4-16-12(18)10-9(15)11(20-3)13(21-10)17-7-5-6-14(2,19)8-17/h19H,4-8,15H2,1-3H3,(H,16,18)
InChIKeyZLQNYSBYCLRBQH-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.15
Rot. Bonds4

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

3-amino-N-ethyl-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide (PubChem CID 103506559) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 3-amino-N-ethyl-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
PubChem CID103506559
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC Name3-amino-N-ethyl-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N2CCCC(C)(O)C2)c(SC)c1N
InChIInChI=1S/C14H23N3O2S2/c1-4-16-12(18)10-9(15)11(20-3)13(21-10)17-7-5-6-14(2,19)8-17/h19H,4-8,15H2,1-3H3,(H,16,18)
InChIKeyZLQNYSBYCLRBQH-UHFFFAOYSA-N
XLogP2.15
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-ethyl-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103417310
1-[3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one
CID 103506558
3-amino-N-ethyl-5-(4-ethylpiperazin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103418732
3-amino-N-ethyl-5-[3-(hydroxymethyl)piperidin-1-yl]-4-methylsulfanylthiophene-2-carboxamide
CID 103418251
methyl 3-amino-5-(4-hydroxy-4-methylazepan-1-yl)-4-methylsulfanylthiophene-2-carboxylate
CID 107409250
3-amino-N-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103505566
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 103506539
methyl 3-amino-5-(4-hydroxy-4-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate
CID 103505518
3-amino-5-(4-methylpiperazin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103419384
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-N-methylthiophene-2,4-dicarboxamide
CID 103506594
4-amino-2-(3-hydroxy-3-methylpiperidin-1-yl)-5-propanoylthiophene-3-carboxamide
CID 103506544
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103506550

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-ethyl-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide (CID 103506559) is 3-amino-N-ethyl-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide is CCNC(=O)c1sc(N2CCCC(C)(O)C2)c(SC)c1N.
What is the InChIKey of 3-amino-N-ethyl-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide?
The InChIKey is ZLQNYSBYCLRBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-4-16-12(18)10-9(15)11(20-3)13(21-10)17-7-5-6-14(2,19)8-17/h19H,4-8,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-N-ethyl-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide?
3-amino-N-ethyl-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide has a molecular weight of 329.49 g/mol, XLogP of 2.15, 4 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-hydroxy-3-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 103506559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).