N-(3-ethylsulfonyl-2-hydroxypropyl)-2-methylpropanamide

C9H19NO4S — CID 165454493

IUPACN-(3-ethylsulfonyl-2-hydroxypropyl)-2-methylpropanamide
SMILESCCS(=O)(=O)CC(O)CNC(=O)C(C)C
InChIInChI=1S/C9H19NO4S/c1-4-15(13,14)6-8(11)5-10-9(12)7(2)3/h7-8,11H,4-6H2,1-3H3,(H,10,12)
InChIKeyPGTAZBSOGDEMFO-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.45
Rot. Bonds6

About N-(3-ethylsulfonyl-2-hydroxypropyl)-2-methylpropanamide

N-(3-ethylsulfonyl-2-hydroxypropyl)-2-methylpropanamide (PubChem CID 165454493) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-(3-ethylsulfonyl-2-hydroxypropyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-ethylsulfonyl-2-hydroxypropyl)-2-methylpropanamide
PubChem CID165454493
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC NameN-(3-ethylsulfonyl-2-hydroxypropyl)-2-methylpropanamide
SMILESCCS(=O)(=O)CC(O)CNC(=O)C(C)C
InChIInChI=1S/C9H19NO4S/c1-4-15(13,14)6-8(11)5-10-9(12)7(2)3/h7-8,11H,4-6H2,1-3H3,(H,10,12)
InChIKeyPGTAZBSOGDEMFO-UHFFFAOYSA-N
XLogP-0.45
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-ethylsulfonyl-2-hydroxypropyl)-2-methylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-ethylsulfonyl-2-hydroxypropyl)-3-methylbutanamide
CID 165449742
(2S)-2-amino-N-(2-hydroxybutyl)propanamide
CID 104866791
N-(2-hydroxy-3-methylsulfonylpropyl)acetamide
CID 165449735
(2S)-2-hydroxy-N-[(2R)-2-hydroxybutyl]-3-methylbutanamide
CID 134189475
2-(2-methylpropanoylamino)ethanesulfonic acid
CID 89280118
1-butylsulfonyl-3-(propan-2-ylamino)propan-2-ol
CID 115476685
2-[(2-methylpropanoylamino)methyl]pentanoic acid
CID 65218926
2-methyl-N-(4-methyl-2-propan-2-ylpentyl)propanamide
CID 167387123
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612
N-(aminomethyl)-2-methylpropanamide
CID 88582106
N-(2-amino-4-methylpentyl)-2-methylpropanamide
CID 107158681
N-tert-butyl-2-methylpropanamide;bis(N-ethyl-2-methylpropanamide)
CID 160609422

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfonyl-2-hydroxypropyl)-2-methylpropanamide?
The IUPAC name of N-(3-ethylsulfonyl-2-hydroxypropyl)-2-methylpropanamide (CID 165454493) is N-(3-ethylsulfonyl-2-hydroxypropyl)-2-methylpropanamide.
What is the SMILES notation for N-(3-ethylsulfonyl-2-hydroxypropyl)-2-methylpropanamide?
The canonical SMILES for N-(3-ethylsulfonyl-2-hydroxypropyl)-2-methylpropanamide is CCS(=O)(=O)CC(O)CNC(=O)C(C)C.
What is the InChIKey of N-(3-ethylsulfonyl-2-hydroxypropyl)-2-methylpropanamide?
The InChIKey is PGTAZBSOGDEMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-4-15(13,14)6-8(11)5-10-9(12)7(2)3/h7-8,11H,4-6H2,1-3H3,(H,10,12).
What are the key properties of N-(3-ethylsulfonyl-2-hydroxypropyl)-2-methylpropanamide?
N-(3-ethylsulfonyl-2-hydroxypropyl)-2-methylpropanamide has a molecular weight of 237.32 g/mol, XLogP of -0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfonyl-2-hydroxypropyl)-2-methylpropanamide is sourced from PubChem (CID 165454493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).