N-(1-hydroxy-4,4-dimethylpentan-2-yl)-4-methylthiophene-3-carboxamide

C13H21NO2S — CID 75440606

IUPACN-(1-hydroxy-4,4-dimethylpentan-2-yl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NC(CO)CC(C)(C)C
InChIInChI=1S/C13H21NO2S/c1-9-7-17-8-11(9)12(16)14-10(6-15)5-13(2,3)4/h7-8,10,15H,5-6H2,1-4H3,(H,14,16)
InChIKeyUIUVRXLSNBWDHR-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.58
Rot. Bonds4

About N-(1-hydroxy-4,4-dimethylpentan-2-yl)-4-methylthiophene-3-carboxamide

N-(1-hydroxy-4,4-dimethylpentan-2-yl)-4-methylthiophene-3-carboxamide (PubChem CID 75440606) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-(1-hydroxy-4,4-dimethylpentan-2-yl)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4,4-dimethylpentan-2-yl)-4-methylthiophene-3-carboxamide
PubChem CID75440606
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-(1-hydroxy-4,4-dimethylpentan-2-yl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NC(CO)CC(C)(C)C
InChIInChI=1S/C13H21NO2S/c1-9-7-17-8-11(9)12(16)14-10(6-15)5-13(2,3)4/h7-8,10,15H,5-6H2,1-4H3,(H,14,16)
InChIKeyUIUVRXLSNBWDHR-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-2-yl)-4-methylthiophene-3-carboxamide?
The IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-2-yl)-4-methylthiophene-3-carboxamide (CID 75440606) is N-(1-hydroxy-4,4-dimethylpentan-2-yl)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4,4-dimethylpentan-2-yl)-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-4,4-dimethylpentan-2-yl)-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)NC(CO)CC(C)(C)C.
What is the InChIKey of N-(1-hydroxy-4,4-dimethylpentan-2-yl)-4-methylthiophene-3-carboxamide?
The InChIKey is UIUVRXLSNBWDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-9-7-17-8-11(9)12(16)14-10(6-15)5-13(2,3)4/h7-8,10,15H,5-6H2,1-4H3,(H,14,16).
What are the key properties of N-(1-hydroxy-4,4-dimethylpentan-2-yl)-4-methylthiophene-3-carboxamide?
N-(1-hydroxy-4,4-dimethylpentan-2-yl)-4-methylthiophene-3-carboxamide has a molecular weight of 255.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4,4-dimethylpentan-2-yl)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 75440606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).