4-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid

C11H13NO3S2 — CID 79139663

IUPAC4-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid
SMILESO=C(CSc1csc(C(=O)O)c1)NCC1CC1
InChIInChI=1S/C11H13NO3S2/c13-10(12-4-7-1-2-7)6-16-8-3-9(11(14)15)17-5-8/h3,5,7H,1-2,4,6H2,(H,12,13)(H,14,15)
InChIKeyLFGQXTKANUVCSJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.06
Rot. Bonds6

About 4-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid

4-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid (PubChem CID 79139663) has the molecular formula C11H13NO3S2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid
PubChem CID79139663
Molecular FormulaC11H13NO3S2
Molecular Weight271.36 g/mol
Exact Mass271.03
IUPAC Name4-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid
SMILESO=C(CSc1csc(C(=O)O)c1)NCC1CC1
InChIInChI=1S/C11H13NO3S2/c13-10(12-4-7-1-2-7)6-16-8-3-9(11(14)15)17-5-8/h3,5,7H,1-2,4,6H2,(H,12,13)(H,14,15)
InChIKeyLFGQXTKANUVCSJ-UHFFFAOYSA-N
XLogP2.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]sulfanylthiophene-2-carboxylic acid
CID 79149428
4-[3-(cyclopropylamino)-3-oxopropyl]sulfanylthiophene-2-carboxylic acid
CID 79149602
2-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfanylphenyl]acetic acid
CID 64927967
4-(2-bromoprop-2-enylsulfanyl)thiophene-2-carboxylic acid
CID 79149518
4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid
CID 79131790
4-prop-2-ynylsulfanylthiophene-2-carboxylic acid
CID 79150083
4-(2-methylpropylsulfanyl)thiophene-2-carboxylic acid
CID 79149154
4-(oxan-4-ylsulfanyl)thiophene-2-carboxylic acid
CID 79150369
4-[2-(oxan-2-yloxy)ethylsulfanyl]thiophene-2-carboxylic acid
CID 79149758
4-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]thiophene-2-carboxylic acid
CID 79140427
4-(2-ethylbutylsulfanyl)thiophene-2-carboxylic acid
CID 82927723
4-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]thiophene-2-carboxylic acid
CID 79132461

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid?
The IUPAC name of 4-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid (CID 79139663) is 4-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid is O=C(CSc1csc(C(=O)O)c1)NCC1CC1.
What is the InChIKey of 4-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid?
The InChIKey is LFGQXTKANUVCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S2/c13-10(12-4-7-1-2-7)6-16-8-3-9(11(14)15)17-5-8/h3,5,7H,1-2,4,6H2,(H,12,13)(H,14,15).
What are the key properties of 4-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid?
4-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid is sourced from PubChem (CID 79139663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).