N-(2-hydroxy-3-methylsulfonylpropyl)acetamide

C6H13NO4S — CID 165449735

IUPACN-(2-hydroxy-3-methylsulfonylpropyl)acetamide
SMILESCC(=O)NCC(O)CS(C)(=O)=O
InChIInChI=1S/C6H13NO4S/c1-5(8)7-3-6(9)4-12(2,10)11/h6,9H,3-4H2,1-2H3,(H,7,8)
InChIKeyKDNRKRJUHKWHBG-UHFFFAOYSA-N
MW195.24 g/mol
LogP-1.47
Rot. Bonds4

About N-(2-hydroxy-3-methylsulfonylpropyl)acetamide

N-(2-hydroxy-3-methylsulfonylpropyl)acetamide (PubChem CID 165449735) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylsulfonylpropyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylsulfonylpropyl)acetamide
PubChem CID165449735
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC NameN-(2-hydroxy-3-methylsulfonylpropyl)acetamide
SMILESCC(=O)NCC(O)CS(C)(=O)=O
InChIInChI=1S/C6H13NO4S/c1-5(8)7-3-6(9)4-12(2,10)11/h6,9H,3-4H2,1-2H3,(H,7,8)
InChIKeyKDNRKRJUHKWHBG-UHFFFAOYSA-N
XLogP-1.47
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpropylamino)-3-methylsulfonylpropan-2-ol
CID 115476733
N-[(2S)-2-hydroxyheptyl]acetamide
CID 11686981
methyl N-(3-acetamido-2-hydroxypropyl)carbamate
CID 23527594
2-(hydroxymethyl)-2-[(2-hydroxy-3-methylsulfonylpropyl)amino]propane-1,3-diol
CID 118459124
N-(2,6-dihydroxyhexyl)acetamide
CID 19031150
N-(2,3,3,3-tetrafluoropropyl)acetamide
CID 130011160
N-(3-acetamido-2-methylpropyl)acetamide
CID 20588188
N-(3-ethylsulfonyl-2-hydroxypropyl)-2-methylpropanamide
CID 165454493
N-(2,3-dihydroxybutyl)acetamide
CID 91533638
ethane;N-[2-hydroxy-3-[methyl(methylamino)amino]propyl]acetamide
CID 143072607
ethane;N-(2-methylpropyl)acetamide
CID 142232237
N-[3-[(1S,5R)-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxypropyl]acetamide
CID 70872049

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylsulfonylpropyl)acetamide?
The IUPAC name of N-(2-hydroxy-3-methylsulfonylpropyl)acetamide (CID 165449735) is N-(2-hydroxy-3-methylsulfonylpropyl)acetamide.
What is the SMILES notation for N-(2-hydroxy-3-methylsulfonylpropyl)acetamide?
The canonical SMILES for N-(2-hydroxy-3-methylsulfonylpropyl)acetamide is CC(=O)NCC(O)CS(C)(=O)=O.
What is the InChIKey of N-(2-hydroxy-3-methylsulfonylpropyl)acetamide?
The InChIKey is KDNRKRJUHKWHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-5(8)7-3-6(9)4-12(2,10)11/h6,9H,3-4H2,1-2H3,(H,7,8).
What are the key properties of N-(2-hydroxy-3-methylsulfonylpropyl)acetamide?
N-(2-hydroxy-3-methylsulfonylpropyl)acetamide has a molecular weight of 195.24 g/mol, XLogP of -1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylsulfonylpropyl)acetamide is sourced from PubChem (CID 165449735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).