4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid

C11H13NO3S2 — CID 79139170

IUPAC4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid
SMILESCC(Sc1csc(C(=O)O)c1)C(=O)NC1CC1
InChIInChI=1S/C11H13NO3S2/c1-6(10(13)12-7-2-3-7)17-8-4-9(11(14)15)16-5-8/h4-7H,2-3H2,1H3,(H,12,13)(H,14,15)
InChIKeyPREWSKLNVLOWFV-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.21
Rot. Bonds5

About 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid

4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid (PubChem CID 79139170) has the molecular formula C11H13NO3S2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid
PubChem CID79139170
Molecular FormulaC11H13NO3S2
Molecular Weight271.36 g/mol
Exact Mass271.03
IUPAC Name4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid
SMILESCC(Sc1csc(C(=O)O)c1)C(=O)NC1CC1
InChIInChI=1S/C11H13NO3S2/c1-6(10(13)12-7-2-3-7)17-8-4-9(11(14)15)16-5-8/h4-7H,2-3H2,1H3,(H,12,13)(H,14,15)
InChIKeyPREWSKLNVLOWFV-UHFFFAOYSA-N
XLogP2.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid
CID 79149425
4-[1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylthiophene-2-carboxylic acid
CID 79149156
4-[1-(dimethylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid
CID 79140339
4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylthiophene-2-carboxylic acid
CID 79149760
(2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 883001
2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide
CID 19317735
N-cyclopropyl-2-[4-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 113371986
(2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide
CID 35041164
(2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide
CID 2423355
4-cyclohexylsulfanylthiophene-2-carboxylic acid
CID 79149674
N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanylpropanamide
CID 78765452
N-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 47262934

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid?
The IUPAC name of 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid (CID 79139170) is 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid is CC(Sc1csc(C(=O)O)c1)C(=O)NC1CC1.
What is the InChIKey of 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid?
The InChIKey is PREWSKLNVLOWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S2/c1-6(10(13)12-7-2-3-7)17-8-4-9(11(14)15)16-5-8/h4-7H,2-3H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid?
4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid is sourced from PubChem (CID 79139170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).