N-(1-hydroxy-3-methylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide

C10H15NO2S2 — CID 107032032

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide
SMILESCC(C)C(CO)NC(=O)c1cc(S)cs1
InChIInChI=1S/C10H15NO2S2/c1-6(2)8(4-12)11-10(13)9-3-7(14)5-15-9/h3,5-6,8,12,14H,4H2,1-2H3,(H,11,13)
InChIKeyKOHOGEMLFNBTPV-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.78
Rot. Bonds4

About N-(1-hydroxy-3-methylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide

N-(1-hydroxy-3-methylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide (PubChem CID 107032032) has the molecular formula C10H15NO2S2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide
PubChem CID107032032
Molecular FormulaC10H15NO2S2
Molecular Weight245.37 g/mol
Exact Mass245.05
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide
SMILESCC(C)C(CO)NC(=O)c1cc(S)cs1
InChIInChI=1S/C10H15NO2S2/c1-6(2)8(4-12)11-10(13)9-3-7(14)5-15-9/h3,5-6,8,12,14H,4H2,1-2H3,(H,11,13)
InChIKeyKOHOGEMLFNBTPV-UHFFFAOYSA-N
XLogP1.78
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpentan-3-yl)-4-sulfanylthiophene-2-carboxamide
CID 107025092
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-sulfanylthiophene-2-carboxamide
CID 107025304
N-(4-methylsulfanylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide
CID 107035311
N-(1-cyclopropylethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022853
N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107023129
N-(4-phenylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide
CID 107026936
N-[5-(diethylamino)pentan-2-yl]-4-sulfanylthiophene-2-carboxamide
CID 107020632
2-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-5-sulfanylbenzamide
CID 107032027
2-bromo-N-(1-hydroxy-3-methylbutan-2-yl)-5-sulfanylbenzamide
CID 107032026
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107025593
N-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022996
N-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107034097

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide (CID 107032032) is N-(1-hydroxy-3-methylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide is CC(C)C(CO)NC(=O)c1cc(S)cs1.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide?
The InChIKey is KOHOGEMLFNBTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S2/c1-6(2)8(4-12)11-10(13)9-3-7(14)5-15-9/h3,5-6,8,12,14H,4H2,1-2H3,(H,11,13).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide?
N-(1-hydroxy-3-methylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide has a molecular weight of 245.37 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107032032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).