3-amino-5-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide

C15H17N3O2S — CID 107932373

IUPAC3-amino-5-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NC3CCC(=O)NC3)c(N)c2c1
InChIInChI=1S/C15H17N3O2S/c1-8-2-4-11-10(6-8)13(16)14(21-11)15(20)18-9-3-5-12(19)17-7-9/h2,4,6,9H,3,5,7,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyUNEGOYLVBDWDPN-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.80
Rot. Bonds2

About 3-amino-5-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide

3-amino-5-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide (PubChem CID 107932373) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 3-amino-5-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide
PubChem CID107932373
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name3-amino-5-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NC3CCC(=O)NC3)c(N)c2c1
InChIInChI=1S/C15H17N3O2S/c1-8-2-4-11-10(6-8)13(16)14(21-11)15(20)18-9-3-5-12(19)17-7-9/h2,4,6,9H,3,5,7,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyUNEGOYLVBDWDPN-UHFFFAOYSA-N
XLogP1.80
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-5-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide (CID 107932373) is 3-amino-5-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide is Cc1ccc2sc(C(=O)NC3CCC(=O)NC3)c(N)c2c1.
What is the InChIKey of 3-amino-5-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is UNEGOYLVBDWDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-8-2-4-11-10(6-8)13(16)14(21-11)15(20)18-9-3-5-12(19)17-7-9/h2,4,6,9H,3,5,7,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 3-amino-5-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide?
3-amino-5-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107932373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).