3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide

C11H17N3O4S — CID 106674824

IUPAC3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(N2CC(O)C(O)C2)c(OC)c1N
InChIInChI=1S/C11H17N3O4S/c1-13-10(17)9-7(12)8(18-2)11(19-9)14-3-5(15)6(16)4-14/h5-6,15-16H,3-4,12H2,1-2H3,(H,13,17)
InChIKeyRQVNTKHZRABYFV-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.76
Rot. Bonds3

About 3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide

3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide (PubChem CID 106674824) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide
PubChem CID106674824
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(N2CC(O)C(O)C2)c(OC)c1N
InChIInChI=1S/C11H17N3O4S/c1-13-10(17)9-7(12)8(18-2)11(19-9)14-3-5(15)6(16)4-14/h5-6,15-16H,3-4,12H2,1-2H3,(H,13,17)
InChIKeyRQVNTKHZRABYFV-UHFFFAOYSA-N
XLogP-0.76
TPSA108.05 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418885
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 103506539
[3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone
CID 103506756
3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methoxythiophene-2-carboxamide
CID 103419611
3-amino-4-methoxy-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103542420
3-amino-N-methyl-5-piperidin-1-yl-4-propan-2-yloxythiophene-2-carboxamide
CID 103419914
3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide
CID 103418540
3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103525772
3-amino-N-ethyl-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103506114
3-amino-5-(4-aminopiperidin-1-yl)-N-ethyl-4-methoxythiophene-2-carboxamide
CID 103525626
3-amino-N-cyclopropyl-4-methoxy-5-piperazin-1-ylthiophene-2-carboxamide
CID 103525009
3-amino-N-cyclopropyl-4-methoxy-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide
CID 103507469

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide (CID 106674824) is 3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide is CNC(=O)c1sc(N2CC(O)C(O)C2)c(OC)c1N.
What is the InChIKey of 3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide?
The InChIKey is RQVNTKHZRABYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-13-10(17)9-7(12)8(18-2)11(19-9)14-3-5(15)6(16)4-14/h5-6,15-16H,3-4,12H2,1-2H3,(H,13,17).
What are the key properties of 3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide?
3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide has a molecular weight of 287.34 g/mol, XLogP of -0.76, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 106674824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).