N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylpropanamide

C8H17NO4S — CID 43500826

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylpropanamide
SMILESCC(C)(CO)NC(=O)CCS(C)(=O)=O
InChIInChI=1S/C8H17NO4S/c1-8(2,6-10)9-7(11)4-5-14(3,12)13/h10H,4-6H2,1-3H3,(H,9,11)
InChIKeyKNMZLALHQXVYIL-UHFFFAOYSA-N
MW223.29 g/mol
LogP-0.69
Rot. Bonds5

About N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylpropanamide

N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylpropanamide (PubChem CID 43500826) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylpropanamide
PubChem CID43500826
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylpropanamide
SMILESCC(C)(CO)NC(=O)CCS(C)(=O)=O
InChIInChI=1S/C8H17NO4S/c1-8(2,6-10)9-7(11)4-5-14(3,12)13/h10H,4-6H2,1-3H3,(H,9,11)
InChIKeyKNMZLALHQXVYIL-UHFFFAOYSA-N
XLogP-0.69
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylpropanamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylpropanamide (CID 43500826) is N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylpropanamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylpropanamide is CC(C)(CO)NC(=O)CCS(C)(=O)=O.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylpropanamide?
The InChIKey is KNMZLALHQXVYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-8(2,6-10)9-7(11)4-5-14(3,12)13/h10H,4-6H2,1-3H3,(H,9,11).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylpropanamide?
N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylpropanamide has a molecular weight of 223.29 g/mol, XLogP of -0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylpropanamide is sourced from PubChem (CID 43500826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).