3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide

C11H17N3O2S — CID 103418885

IUPAC3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(N2CCCC2)c(OC)c1N
InChIInChI=1S/C11H17N3O2S/c1-13-10(15)9-7(12)8(16-2)11(17-9)14-5-3-4-6-14/h3-6,12H2,1-2H3,(H,13,15)
InChIKeyOGAAIOIZMHFONL-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.30
Rot. Bonds3

About 3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide

3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide (PubChem CID 103418885) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
PubChem CID103418885
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(N2CCCC2)c(OC)c1N
InChIInChI=1S/C11H17N3O2S/c1-13-10(15)9-7(12)8(16-2)11(17-9)14-5-3-4-6-14/h3-6,12H2,1-2H3,(H,13,15)
InChIKeyOGAAIOIZMHFONL-UHFFFAOYSA-N
XLogP1.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 103506539
3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 106674824
3-amino-N-methyl-5-piperidin-1-yl-4-propan-2-yloxythiophene-2-carboxamide
CID 103419914
3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methoxythiophene-2-carboxamide
CID 103419611
3-amino-5-(azocan-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide
CID 103420679
1-(3-amino-4-methoxy-5-piperidin-1-ylthiophen-2-yl)-2-methylpropan-1-one
CID 103419843
3-amino-N-ethyl-4-methoxy-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide
CID 103421810
3-amino-4-cyclopropyl-N-methyl-5-piperidin-1-ylthiophene-2-carboxamide
CID 103419872
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-methyl-5-(3-methylpiperidin-1-yl)-4-propan-2-yloxythiophene-2-carboxamide
CID 103419553
3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide
CID 103422789

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide (CID 103418885) is 3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide is CNC(=O)c1sc(N2CCCC2)c(OC)c1N.
What is the InChIKey of 3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide?
The InChIKey is OGAAIOIZMHFONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-13-10(15)9-7(12)8(16-2)11(17-9)14-5-3-4-6-14/h3-6,12H2,1-2H3,(H,13,15).
What are the key properties of 3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide?
3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 103418885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).