3-amino-N-methyl-N-propylthiophene-2-carboxamide

C9H14N2OS — CID 61095360

IUPAC3-amino-N-methyl-N-propylthiophene-2-carboxamide
SMILESCCCN(C)C(=O)c1sccc1N
InChIInChI=1S/C9H14N2OS/c1-3-5-11(2)9(12)8-7(10)4-6-13-8/h4,6H,3,5,10H2,1-2H3
InChIKeyJZKXDMGWBQMULR-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.81
Rot. Bonds3

About 3-amino-N-methyl-N-propylthiophene-2-carboxamide

3-amino-N-methyl-N-propylthiophene-2-carboxamide (PubChem CID 61095360) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-amino-N-methyl-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-propylthiophene-2-carboxamide
PubChem CID61095360
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name3-amino-N-methyl-N-propylthiophene-2-carboxamide
SMILESCCCN(C)C(=O)c1sccc1N
InChIInChI=1S/C9H14N2OS/c1-3-5-11(2)9(12)8-7(10)4-6-13-8/h4,6H,3,5,10H2,1-2H3
InChIKeyJZKXDMGWBQMULR-UHFFFAOYSA-N
XLogP1.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-(dimethylamino)propyl]-N-methylthiophene-2-carboxamide
CID 63694246
3-amino-N-ethyl-N-propylthiophene-2-carboxamide
CID 61095166
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 61095580
3-amino-N,N-dimethylthiophene-2-carboxamide
CID 61092296
3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 61114488
3-amino-N-(2-cyanopropyl)-N-methylthiophene-2-carboxamide
CID 61114368
3-amino-N-methyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 61094457
3-amino-N-butan-2-yl-N-butylthiophene-2-carboxamide
CID 61105822
N-butyl-N,3-dimethylthiophene-2-carboxamide
CID 86978133
3-amino-N-(2-amino-2-oxoethyl)-N-ethylthiophene-2-carboxamide
CID 103100919
3-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 61138440
3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 61093482

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-propylthiophene-2-carboxamide (CID 61095360) is 3-amino-N-methyl-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-propylthiophene-2-carboxamide is CCCN(C)C(=O)c1sccc1N.
What is the InChIKey of 3-amino-N-methyl-N-propylthiophene-2-carboxamide?
The InChIKey is JZKXDMGWBQMULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-3-5-11(2)9(12)8-7(10)4-6-13-8/h4,6H,3,5,10H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-propylthiophene-2-carboxamide?
3-amino-N-methyl-N-propylthiophene-2-carboxamide has a molecular weight of 198.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 61095360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).