N-(3-hydroxypropyl)-2-methylsulfonylacetamide

C6H13NO4S — CID 61342786

IUPACN-(3-hydroxypropyl)-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)NCCCO
InChIInChI=1S/C6H13NO4S/c1-12(10,11)5-6(9)7-3-2-4-8/h8H,2-5H2,1H3,(H,7,9)
InChIKeyHSWMNEQHSHDBLZ-UHFFFAOYSA-N
MW195.24 g/mol
LogP-1.47
Rot. Bonds5

About N-(3-hydroxypropyl)-2-methylsulfonylacetamide

N-(3-hydroxypropyl)-2-methylsulfonylacetamide (PubChem CID 61342786) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-methylsulfonylacetamide
PubChem CID61342786
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC NameN-(3-hydroxypropyl)-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)NCCCO
InChIInChI=1S/C6H13NO4S/c1-12(10,11)5-6(9)7-3-2-4-8/h8H,2-5H2,1H3,(H,7,9)
InChIKeyHSWMNEQHSHDBLZ-UHFFFAOYSA-N
XLogP-1.47
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Acetamido-2-hydroxyethanesulfonic acid
CID 58995641
Acamprosate alcohol
CID 129670773
2-(2-hydroxyethylsulfonyl)-N-(hydroxymethyl)propanamide
CID 101654127
N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylpropanamide
CID 104857166
N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylacetamide
CID 104857225
N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-methylsulfonylpropanamide
CID 104862856
N-(2,2-difluoro-3-hydroxypropyl)-3-methylsulfonylpropanamide
CID 104864876
N-ethyl-3-ethylsulfonyl-3-hydroxypropanamide
CID 53833505
Potassium 2-acetamido-2-hydroxyethanesulfonate
CID 58995640
3-(2-Methylsulfonylethylamino)propan-1-ol
CID 60720688
N-(2-hydroxyethyl)-2-methylsulfonylacetamide
CID 61344578
N-[2-(2-hydroxyethylsulfonyl)ethyl]acetamide
CID 85738676

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-methylsulfonylacetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-methylsulfonylacetamide (CID 61342786) is N-(3-hydroxypropyl)-2-methylsulfonylacetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-methylsulfonylacetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-methylsulfonylacetamide is CS(=O)(=O)CC(=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-2-methylsulfonylacetamide?
The InChIKey is HSWMNEQHSHDBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-12(10,11)5-6(9)7-3-2-4-8/h8H,2-5H2,1H3,(H,7,9).
What are the key properties of N-(3-hydroxypropyl)-2-methylsulfonylacetamide?
N-(3-hydroxypropyl)-2-methylsulfonylacetamide has a molecular weight of 195.24 g/mol, XLogP of -1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-methylsulfonylacetamide is sourced from PubChem (CID 61342786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).