3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide

C11H15N3O2S — CID 61093482

IUPAC3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)NC1CC1)C(=O)c1sccc1N
InChIInChI=1S/C11H15N3O2S/c1-14(6-9(15)13-7-2-3-7)11(16)10-8(12)4-5-17-10/h4-5,7H,2-3,6,12H2,1H3,(H,13,15)
InChIKeyGWZCZCXMLFJBRT-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.68
Rot. Bonds4

About 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide

3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 61093482) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID61093482
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)NC1CC1)C(=O)c1sccc1N
InChIInChI=1S/C11H15N3O2S/c1-14(6-9(15)13-7-2-3-7)11(16)10-8(12)4-5-17-10/h4-5,7H,2-3,6,12H2,1H3,(H,13,15)
InChIKeyGWZCZCXMLFJBRT-UHFFFAOYSA-N
XLogP0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide
CID 78808757
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 61095580
N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 119476525
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide
CID 107074114
3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methoxy-N-methylbenzamide
CID 43572549
3-amino-N-methyl-N-propylthiophene-2-carboxamide
CID 61095360
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 47013772
3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63338225
[2-(cycloheptylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate
CID 62574037
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 86907310
4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 65358130
3-amino-N,N-dimethylthiophene-2-carboxamide
CID 61092296

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 61093482) is 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide is CN(CC(=O)NC1CC1)C(=O)c1sccc1N.
What is the InChIKey of 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is GWZCZCXMLFJBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-14(6-9(15)13-7-2-3-7)11(16)10-8(12)4-5-17-10/h4-5,7H,2-3,6,12H2,1H3,(H,13,15).
What are the key properties of 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 253.33 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 61093482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).