N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-carboxamide

C11H17NO2S — CID 61247193

IUPACN-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1ccsc1
InChIInChI=1S/C11H17NO2S/c1-8(2)5-10(6-13)12-11(14)9-3-4-15-7-9/h3-4,7-8,10,13H,5-6H2,1-2H3,(H,12,14)
InChIKeySWWXRHSIIHBFIM-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.88
Rot. Bonds5

About N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-carboxamide

N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-carboxamide (PubChem CID 61247193) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-carboxamide
PubChem CID61247193
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1ccsc1
InChIInChI=1S/C11H17NO2S/c1-8(2)5-10(6-13)12-11(14)9-3-4-15-7-9/h3-4,7-8,10,13H,5-6H2,1-2H3,(H,12,14)
InChIKeySWWXRHSIIHBFIM-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-carboxamide (CID 61247193) is N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-carboxamide is CC(C)CC(CO)NC(=O)c1ccsc1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-carboxamide?
The InChIKey is SWWXRHSIIHBFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-8(2)5-10(6-13)12-11(14)9-3-4-15-7-9/h3-4,7-8,10,13H,5-6H2,1-2H3,(H,12,14).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-carboxamide?
N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-carboxamide has a molecular weight of 227.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 61247193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).