N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-3-thiophen-2-ylpropanamide

C12H19NO3S — CID 86788997

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-3-thiophen-2-ylpropanamide
SMILESCC(Cc1cccs1)C(=O)NC(C)(CO)CO
InChIInChI=1S/C12H19NO3S/c1-9(6-10-4-3-5-17-10)11(16)13-12(2,7-14)8-15/h3-5,9,14-15H,6-8H2,1-2H3,(H,13,16)
InChIKeyQVOXHHYLDJQXOX-UHFFFAOYSA-N
MW257.35 g/mol
LogP0.79
Rot. Bonds6

About N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-3-thiophen-2-ylpropanamide

N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-3-thiophen-2-ylpropanamide (PubChem CID 86788997) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-3-thiophen-2-ylpropanamide
PubChem CID86788997
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-3-thiophen-2-ylpropanamide
SMILESCC(Cc1cccs1)C(=O)NC(C)(CO)CO
InChIInChI=1S/C12H19NO3S/c1-9(6-10-4-3-5-17-10)11(16)13-12(2,7-14)8-15/h3-5,9,14-15H,6-8H2,1-2H3,(H,13,16)
InChIKeyQVOXHHYLDJQXOX-UHFFFAOYSA-N
XLogP0.79
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-3-thiophen-2-ylpropanamide (CID 86788997) is N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-3-thiophen-2-ylpropanamide is CC(Cc1cccs1)C(=O)NC(C)(CO)CO.
What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-3-thiophen-2-ylpropanamide?
The InChIKey is QVOXHHYLDJQXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-9(6-10-4-3-5-17-10)11(16)13-12(2,7-14)8-15/h3-5,9,14-15H,6-8H2,1-2H3,(H,13,16).
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-3-thiophen-2-ylpropanamide?
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-3-thiophen-2-ylpropanamide has a molecular weight of 257.35 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 86788997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).