2-decylsulfonyl-N-(2,3-dihydroxypropyl)acetamide

C15H31NO5S — CID 508460

IUPAC2-decylsulfonyl-N-(2,3-dihydroxypropyl)acetamide
SMILESCCCCCCCCCCS(=O)(=O)CC(=O)NCC(O)CO
InChIInChI=1S/C15H31NO5S/c1-2-3-4-5-6-7-8-9-10-22(20,21)13-15(19)16-11-14(18)12-17/h14,17-18H,2-13H2,1H3,(H,16,19)
InChIKeyZIIXMLNXEQARQH-UHFFFAOYSA-N
MW337.48 g/mol
LogP1.01
Rot. Bonds14

About 2-decylsulfonyl-N-(2,3-dihydroxypropyl)acetamide

2-decylsulfonyl-N-(2,3-dihydroxypropyl)acetamide (PubChem CID 508460) has the molecular formula C15H31NO5S and a molecular weight of 337.48 g/mol. Its IUPAC name is 2-decylsulfonyl-N-(2,3-dihydroxypropyl)acetamide.

Molecular Properties

Compound Name2-decylsulfonyl-N-(2,3-dihydroxypropyl)acetamide
PubChem CID508460
Molecular FormulaC15H31NO5S
Molecular Weight337.48 g/mol
Exact Mass337.19
IUPAC Name2-decylsulfonyl-N-(2,3-dihydroxypropyl)acetamide
SMILESCCCCCCCCCCS(=O)(=O)CC(=O)NCC(O)CO
InChIInChI=1S/C15H31NO5S/c1-2-3-4-5-6-7-8-9-10-22(20,21)13-15(19)16-11-14(18)12-17/h14,17-18H,2-13H2,1H3,(H,16,19)
InChIKeyZIIXMLNXEQARQH-UHFFFAOYSA-N
XLogP1.01
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.48
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-decylsulfonyl-N-(2-hydroxyethyl)acetamide
CID 508459
N-(2,3-dihydroxypropyl)-2-tetradecylsulfanylacetamide
CID 10383985
3-decylsulfinyl-N-(2-hydroxyethyl)propanamide
CID 17777321
N-[4-(4-acetamido-2-hydroxybutyl)sulfonyl-3-hydroxybutyl]acetamide
CID 139727224
N-(2,3-dihydroxypropyl)-5-methylsulfonylpentanamide
CID 164784899
N-(2-hydroxy-3-methoxypropyl)-3-methylsulfonylpropanamide
CID 64284456
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-hydroxy-3-methoxypropyl)acetamide
CID 64286845
N-(2,3-dihydroxy-2-methylpropyl)-3-methylsulfonylpropanamide
CID 66168340
N-(2,3-dihydroxy-2-methylpropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 66170500
3-(3-Ethylsulfonylpropylamino)propane-1,2-diol
CID 66170569
N-(2,3-dihydroxypropyl)-3-methylsulfonylpropanamide
CID 66175592
2-butylsulfanyl-N-(2,3-dihydroxypropyl)acetamide
CID 66176639

Frequently Asked Questions

What is the IUPAC name of 2-decylsulfonyl-N-(2,3-dihydroxypropyl)acetamide?
The IUPAC name of 2-decylsulfonyl-N-(2,3-dihydroxypropyl)acetamide (CID 508460) is 2-decylsulfonyl-N-(2,3-dihydroxypropyl)acetamide.
What is the SMILES notation for 2-decylsulfonyl-N-(2,3-dihydroxypropyl)acetamide?
The canonical SMILES for 2-decylsulfonyl-N-(2,3-dihydroxypropyl)acetamide is CCCCCCCCCCS(=O)(=O)CC(=O)NCC(O)CO.
What is the InChIKey of 2-decylsulfonyl-N-(2,3-dihydroxypropyl)acetamide?
The InChIKey is ZIIXMLNXEQARQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO5S/c1-2-3-4-5-6-7-8-9-10-22(20,21)13-15(19)16-11-14(18)12-17/h14,17-18H,2-13H2,1H3,(H,16,19).
What are the key properties of 2-decylsulfonyl-N-(2,3-dihydroxypropyl)acetamide?
2-decylsulfonyl-N-(2,3-dihydroxypropyl)acetamide has a molecular weight of 337.48 g/mol, XLogP of 1.01, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decylsulfonyl-N-(2,3-dihydroxypropyl)acetamide is sourced from PubChem (CID 508460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).