N-(3-hydroxypropyl)-3-methylsulfonylpropanamide

C7H15NO4S — CID 43428092

IUPACN-(3-hydroxypropyl)-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)NCCCO
InChIInChI=1S/C7H15NO4S/c1-13(11,12)6-3-7(10)8-4-2-5-9/h9H,2-6H2,1H3,(H,8,10)
InChIKeyGEGKSTMGKFQJFJ-UHFFFAOYSA-N
MW209.27 g/mol
LogP-1.08
Rot. Bonds6

About N-(3-hydroxypropyl)-3-methylsulfonylpropanamide

N-(3-hydroxypropyl)-3-methylsulfonylpropanamide (PubChem CID 43428092) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-3-methylsulfonylpropanamide
PubChem CID43428092
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC NameN-(3-hydroxypropyl)-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)NCCCO
InChIInChI=1S/C7H15NO4S/c1-13(11,12)6-3-7(10)8-4-2-5-9/h9H,2-6H2,1H3,(H,8,10)
InChIKeyGEGKSTMGKFQJFJ-UHFFFAOYSA-N
XLogP-1.08
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-1.08
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

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
N-ethyl-3-methylsulfonylpropanamide
CID 60759343
N-(3-methylsulfonylpropyl)propanamide
CID 60859372
N-(3-hydroxypropyl)-2-methylsulfonylacetamide
CID 61342786
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)-3-methylsulfonylpropanamide?
The IUPAC name of N-(3-hydroxypropyl)-3-methylsulfonylpropanamide (CID 43428092) is N-(3-hydroxypropyl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(3-hydroxypropyl)-3-methylsulfonylpropanamide?
The canonical SMILES for N-(3-hydroxypropyl)-3-methylsulfonylpropanamide is CS(=O)(=O)CCC(=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-3-methylsulfonylpropanamide?
The InChIKey is GEGKSTMGKFQJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-13(11,12)6-3-7(10)8-4-2-5-9/h9H,2-6H2,1H3,(H,8,10).
What are the key properties of N-(3-hydroxypropyl)-3-methylsulfonylpropanamide?
N-(3-hydroxypropyl)-3-methylsulfonylpropanamide has a molecular weight of 209.27 g/mol, XLogP of -1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-3-methylsulfonylpropanamide is sourced from PubChem (CID 43428092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).