2-decylsulfonyl-N-(2-hydroxyethyl)acetamide

C14H29NO4S — CID 508459

IUPAC2-decylsulfonyl-N-(2-hydroxyethyl)acetamide
SMILESCCCCCCCCCCS(=O)(=O)CC(=O)NCCO
InChIInChI=1S/C14H29NO4S/c1-2-3-4-5-6-7-8-9-12-20(18,19)13-14(17)15-10-11-16/h16H,2-13H2,1H3,(H,15,17)
InChIKeyOWHVUYAKUGLILF-UHFFFAOYSA-N
MW307.46 g/mol
LogP1.65
Rot. Bonds13

About 2-decylsulfonyl-N-(2-hydroxyethyl)acetamide

2-decylsulfonyl-N-(2-hydroxyethyl)acetamide (PubChem CID 508459) has the molecular formula C14H29NO4S and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-decylsulfonyl-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-decylsulfonyl-N-(2-hydroxyethyl)acetamide
PubChem CID508459
Molecular FormulaC14H29NO4S
Molecular Weight307.46 g/mol
Exact Mass307.18
IUPAC Name2-decylsulfonyl-N-(2-hydroxyethyl)acetamide
SMILESCCCCCCCCCCS(=O)(=O)CC(=O)NCCO
InChIInChI=1S/C14H29NO4S/c1-2-3-4-5-6-7-8-9-12-20(18,19)13-14(17)15-10-11-16/h16H,2-13H2,1H3,(H,15,17)
InChIKeyOWHVUYAKUGLILF-UHFFFAOYSA-N
XLogP1.65
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 51.65
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-decylsulfonyl-N-(2,3-dihydroxypropyl)acetamide
CID 508460
2-[(2-Octylsulfonylacetyl)amino]acetic acid
CID 508461
3-decylsulfinyl-N-(2-hydroxyethyl)propanamide
CID 17777321
3-hexadecylsulfinyl-N-(2-hydroxyethyl)propanamide
CID 17777322
3-dodecylsulfinyl-N-(2-hydroxyethyl)propanamide
CID 17777323
N-(2-hydroxyethyl)-2-methylsulfonylacetamide
CID 61344578
N-[5-(2-hydroxyethylsulfonyl)pentyl]acetamide
CID 88728496
3-decylsulfanyl-N-(2-hydroxyethyl)propanamide
CID 141580932
ethane;N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide;molecular hydrogen
CID 156791270
N-(2-hydroxyethyl)-6-methylsulfonylhexanamide
CID 164784886
N-(2-hydroxyethyl)-2-[2-(2-hydroxyethylamino)-2-oxoethyl]sulfonylacetamide
CID 9970236
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-hydroxyethyl)acetamide
CID 43392578

Frequently Asked Questions

What is the IUPAC name of 2-decylsulfonyl-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-decylsulfonyl-N-(2-hydroxyethyl)acetamide (CID 508459) is 2-decylsulfonyl-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-decylsulfonyl-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-decylsulfonyl-N-(2-hydroxyethyl)acetamide is CCCCCCCCCCS(=O)(=O)CC(=O)NCCO.
What is the InChIKey of 2-decylsulfonyl-N-(2-hydroxyethyl)acetamide?
The InChIKey is OWHVUYAKUGLILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4S/c1-2-3-4-5-6-7-8-9-12-20(18,19)13-14(17)15-10-11-16/h16H,2-13H2,1H3,(H,15,17).
What are the key properties of 2-decylsulfonyl-N-(2-hydroxyethyl)acetamide?
2-decylsulfonyl-N-(2-hydroxyethyl)acetamide has a molecular weight of 307.46 g/mol, XLogP of 1.65, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decylsulfonyl-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 508459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).