3-amino-N-morpholin-4-yl-1-benzothiophene-2-carboxamide

C13H15N3O2S — CID 83024638

IUPAC3-amino-N-morpholin-4-yl-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)NN2CCOCC2)sc2ccccc12
InChIInChI=1S/C13H15N3O2S/c14-11-9-3-1-2-4-10(9)19-12(11)13(17)15-16-5-7-18-8-6-16/h1-4H,5-8,14H2,(H,15,17)
InChIKeyIMCFVAFUAJUKPR-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.46
Rot. Bonds2

About 3-amino-N-morpholin-4-yl-1-benzothiophene-2-carboxamide

3-amino-N-morpholin-4-yl-1-benzothiophene-2-carboxamide (PubChem CID 83024638) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-amino-N-morpholin-4-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-morpholin-4-yl-1-benzothiophene-2-carboxamide
PubChem CID83024638
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name3-amino-N-morpholin-4-yl-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)NN2CCOCC2)sc2ccccc12
InChIInChI=1S/C13H15N3O2S/c14-11-9-3-1-2-4-10(9)19-12(11)13(17)15-16-5-7-18-8-6-16/h1-4H,5-8,14H2,(H,15,17)
InChIKeyIMCFVAFUAJUKPR-UHFFFAOYSA-N
XLogP1.46
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-methyl-N-morpholin-4-yl-1-benzothiophene-2-carboxamide
CID 107932493
3-chloro-4-fluoro-N-morpholin-4-yl-1-benzothiophene-2-carboxamide
CID 1246057
3-(morpholin-4-ylmethyl)-1-benzothiophene-2-carbohydrazide
CID 63570479
(3-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 94036706
3-amino-5-chloro-N-(4-methylpiperazin-1-yl)-1-benzothiophene-2-carboxamide
CID 83025313
3-amino-N-piperidin-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 83025024
1-(3-amino-1-benzothiophen-2-yl)ethanone
CID 3434239
(3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 748154
2-(morpholin-4-ylcarbamoyl)benzoic acid
CID 83004357
3-amino-N-pyridin-4-yl-1-benzothiophene-2-carboxamide
CID 71905421
3-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-benzothiophene-2-carboxamide
CID 115366277
3-amino-N-(3-methylbut-2-enyl)-1-benzothiophene-2-carboxamide
CID 114157051

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-morpholin-4-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-morpholin-4-yl-1-benzothiophene-2-carboxamide (CID 83024638) is 3-amino-N-morpholin-4-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-morpholin-4-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-morpholin-4-yl-1-benzothiophene-2-carboxamide is Nc1c(C(=O)NN2CCOCC2)sc2ccccc12.
What is the InChIKey of 3-amino-N-morpholin-4-yl-1-benzothiophene-2-carboxamide?
The InChIKey is IMCFVAFUAJUKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c14-11-9-3-1-2-4-10(9)19-12(11)13(17)15-16-5-7-18-8-6-16/h1-4H,5-8,14H2,(H,15,17).
What are the key properties of 3-amino-N-morpholin-4-yl-1-benzothiophene-2-carboxamide?
3-amino-N-morpholin-4-yl-1-benzothiophene-2-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-morpholin-4-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 83024638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).