N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylthiophene-3-carboxamide

C11H17NO3S — CID 136518250

IUPACN-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylthiophene-3-carboxamide
SMILESCN(CC(C)(CO)CO)C(=O)c1ccsc1
InChIInChI=1S/C11H17NO3S/c1-11(7-13,8-14)6-12(2)10(15)9-3-4-16-5-9/h3-5,13-14H,6-8H2,1-2H3
InChIKeyREIFVGLJICCSBU-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.81
Rot. Bonds5

About N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylthiophene-3-carboxamide

N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylthiophene-3-carboxamide (PubChem CID 136518250) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylthiophene-3-carboxamide
PubChem CID136518250
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylthiophene-3-carboxamide
SMILESCN(CC(C)(CO)CO)C(=O)c1ccsc1
InChIInChI=1S/C11H17NO3S/c1-11(7-13,8-14)6-12(2)10(15)9-3-4-16-5-9/h3-5,13-14H,6-8H2,1-2H3
InChIKeyREIFVGLJICCSBU-UHFFFAOYSA-N
XLogP0.81
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylthiophene-3-carboxamide?
The IUPAC name of N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylthiophene-3-carboxamide (CID 136518250) is N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylthiophene-3-carboxamide?
The canonical SMILES for N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylthiophene-3-carboxamide is CN(CC(C)(CO)CO)C(=O)c1ccsc1.
What is the InChIKey of N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylthiophene-3-carboxamide?
The InChIKey is REIFVGLJICCSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-11(7-13,8-14)6-12(2)10(15)9-3-4-16-5-9/h3-5,13-14H,6-8H2,1-2H3.
What are the key properties of N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylthiophene-3-carboxamide?
N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylthiophene-3-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 136518250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).