N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-2-carboxamide

C10H15NO2S2 — CID 103798681

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-2-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1cccs1
InChIInChI=1S/C10H15NO2S2/c1-7(9(6-12)14-2)11-10(13)8-4-3-5-15-8/h3-5,7,9,12H,6H2,1-2H3,(H,11,13)
InChIKeyQEUWJXABBYGSGD-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.59
Rot. Bonds5

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-2-carboxamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-2-carboxamide (PubChem CID 103798681) has the molecular formula C10H15NO2S2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-2-carboxamide
PubChem CID103798681
Molecular FormulaC10H15NO2S2
Molecular Weight245.37 g/mol
Exact Mass245.05
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-2-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1cccs1
InChIInChI=1S/C10H15NO2S2/c1-7(9(6-12)14-2)11-10(13)8-4-3-5-15-8/h3-5,7,9,12H,6H2,1-2H3,(H,11,13)
InChIKeyQEUWJXABBYGSGD-UHFFFAOYSA-N
XLogP1.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(2-thiophen-2-ylpropyl)urea
CID 111444208
N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 81041290
2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 103798809
4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-methylthiophene-2-carboxamide
CID 114150699
N-(1-hydroxy-1-phenylpropan-2-yl)thiophene-2-carboxamide
CID 4122342
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 103799099
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
N-[2-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
CID 2837035
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280
N-(1-aminooxypropan-2-yl)thiophene-2-carboxamide
CID 82040114
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,5-dimethylthiophene-3-carboxamide
CID 103798853

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-2-carboxamide (CID 103798681) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-2-carboxamide is CSC(CO)C(C)NC(=O)c1cccs1.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-2-carboxamide?
The InChIKey is QEUWJXABBYGSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S2/c1-7(9(6-12)14-2)11-10(13)8-4-3-5-15-8/h3-5,7,9,12H,6H2,1-2H3,(H,11,13).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-2-carboxamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-2-carboxamide has a molecular weight of 245.37 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 103798681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).