3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)thiophene-2-carboxamide

C13H19N3O2S — CID 103417519

IUPAC3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)thiophene-2-carboxamide
SMILESNC(=O)c1sc(N2CCCC(O)C2)c(C2CC2)c1N
InChIInChI=1S/C13H19N3O2S/c14-10-9(7-3-4-7)13(19-11(10)12(15)18)16-5-1-2-8(17)6-16/h7-8,17H,1-6,14H2,(H2,15,18)
InChIKeyXECJKWZEGGTKAD-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.27
Rot. Bonds3

About 3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)thiophene-2-carboxamide

3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)thiophene-2-carboxamide (PubChem CID 103417519) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)thiophene-2-carboxamide
PubChem CID103417519
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)thiophene-2-carboxamide
SMILESNC(=O)c1sc(N2CCCC(O)C2)c(C2CC2)c1N
InChIInChI=1S/C13H19N3O2S/c14-10-9(7-3-4-7)13(19-11(10)12(15)18)16-5-1-2-8(17)6-16/h7-8,17H,1-6,14H2,(H2,15,18)
InChIKeyXECJKWZEGGTKAD-UHFFFAOYSA-N
XLogP1.27
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)thiophene-2-carboxamide (CID 103417519) is 3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)thiophene-2-carboxamide is NC(=O)c1sc(N2CCCC(O)C2)c(C2CC2)c1N.
What is the InChIKey of 3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)thiophene-2-carboxamide?
The InChIKey is XECJKWZEGGTKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c14-10-9(7-3-4-7)13(19-11(10)12(15)18)16-5-1-2-8(17)6-16/h7-8,17H,1-6,14H2,(H2,15,18).
What are the key properties of 3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)thiophene-2-carboxamide?
3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)thiophene-2-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 103417519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).