5-(4-methylsulfanylbutan-2-ylcarbamoyl)thiophene-2-carboxylic acid

C11H15NO3S2 — CID 115730420

IUPAC5-(4-methylsulfanylbutan-2-ylcarbamoyl)thiophene-2-carboxylic acid
SMILESCSCCC(C)NC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C11H15NO3S2/c1-7(5-6-16-2)12-10(13)8-3-4-9(17-8)11(14)15/h3-4,7H,5-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyVTSWLBKZPJHTIY-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.32
Rot. Bonds6

About 5-(4-methylsulfanylbutan-2-ylcarbamoyl)thiophene-2-carboxylic acid

5-(4-methylsulfanylbutan-2-ylcarbamoyl)thiophene-2-carboxylic acid (PubChem CID 115730420) has the molecular formula C11H15NO3S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-(4-methylsulfanylbutan-2-ylcarbamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-methylsulfanylbutan-2-ylcarbamoyl)thiophene-2-carboxylic acid
PubChem CID115730420
Molecular FormulaC11H15NO3S2
Molecular Weight273.38 g/mol
Exact Mass273.05
IUPAC Name5-(4-methylsulfanylbutan-2-ylcarbamoyl)thiophene-2-carboxylic acid
SMILESCSCCC(C)NC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C11H15NO3S2/c1-7(5-6-16-2)12-10(13)8-3-4-9(17-8)11(14)15/h3-4,7H,5-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyVTSWLBKZPJHTIY-UHFFFAOYSA-N
XLogP2.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-methylhexan-2-ylcarbamoyl)thiophene-2-carboxylic acid
CID 60721960
5-[(4-methylsulfanylbutan-2-ylamino)methyl]thiophene-2-carboxylic acid
CID 103265848
N-(4-methylsulfanylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide
CID 107035311
5-[1-(2,2,2-trifluoroethoxy)propan-2-ylcarbamoyl]thiophene-2-carboxylic acid
CID 119182927
4-bromo-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 115636139
5-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]thiophene-2-carboxylic acid
CID 120552775
5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]thiophene-2-carboxylic acid
CID 115582897
6-amino-3-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 113478192
5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide
CID 79030843
5-[(4-ethylsulfanylbutan-2-ylamino)methyl]thiophene-2-carboxylic acid
CID 103268666
2-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 115740091
N-[(2S)-1-aminopropan-2-yl]-5-methylthiophene-2-carboxamide
CID 131159537

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfanylbutan-2-ylcarbamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(4-methylsulfanylbutan-2-ylcarbamoyl)thiophene-2-carboxylic acid (CID 115730420) is 5-(4-methylsulfanylbutan-2-ylcarbamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-methylsulfanylbutan-2-ylcarbamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-methylsulfanylbutan-2-ylcarbamoyl)thiophene-2-carboxylic acid is CSCCC(C)NC(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-(4-methylsulfanylbutan-2-ylcarbamoyl)thiophene-2-carboxylic acid?
The InChIKey is VTSWLBKZPJHTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S2/c1-7(5-6-16-2)12-10(13)8-3-4-9(17-8)11(14)15/h3-4,7H,5-6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 5-(4-methylsulfanylbutan-2-ylcarbamoyl)thiophene-2-carboxylic acid?
5-(4-methylsulfanylbutan-2-ylcarbamoyl)thiophene-2-carboxylic acid has a molecular weight of 273.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfanylbutan-2-ylcarbamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 115730420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).