2-prop-2-enylsulfonylundecanamide

C14H27NO3S — CID 174284735

IUPAC2-prop-2-enylsulfonylundecanamide
SMILESC=CCS(=O)(=O)C(CCCCCCCCC)C(N)=O
InChIInChI=1S/C14H27NO3S/c1-3-5-6-7-8-9-10-11-13(14(15)16)19(17,18)12-4-2/h4,13H,2-3,5-12H2,1H3,(H2,15,16)
InChIKeyUHWSERSJOGFQJS-UHFFFAOYSA-N
MW289.44 g/mol
LogP2.58
Rot. Bonds12

About 2-prop-2-enylsulfonylundecanamide

2-prop-2-enylsulfonylundecanamide (PubChem CID 174284735) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-prop-2-enylsulfonylundecanamide.

Molecular Properties

Compound Name2-prop-2-enylsulfonylundecanamide
PubChem CID174284735
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC Name2-prop-2-enylsulfonylundecanamide
SMILESC=CCS(=O)(=O)C(CCCCCCCCC)C(N)=O
InChIInChI=1S/C14H27NO3S/c1-3-5-6-7-8-9-10-11-13(14(15)16)19(17,18)12-4-2/h4,13H,2-3,5-12H2,1H3,(H2,15,16)
InChIKeyUHWSERSJOGFQJS-UHFFFAOYSA-N
XLogP2.58
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-prop-2-enylsulfonyloct-1-ene
CID 173000967
1-ethenoxy-1-oxohexadecane-2-sulfonic acid
CID 18366437
icosane-9-sulfonic acid;prop-2-en-1-amine
CID 175529168
(2R)-2-sulfanyloctanamide
CID 141157978
ethene;2-hexadecyloctadecanamide
CID 87836706
2-(1-hydroxyethenyl)tetradecanamide
CID 141206460
2-hexyloctanamide
CID 87302701
2-dodecylnonadecanamide
CID 175503182
2-octyldecanamide
CID 19104479
(2R)-1-ethoxy-1-oxodocosane-2-sulfonic acid
CID 98160424
(2R)-1-ethoxy-1-oxododecane-2-sulfonic acid
CID 96570930
ethyl (2R)-2-prop-2-enylsulfonylpropanoate
CID 95401200

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfonylundecanamide?
The IUPAC name of 2-prop-2-enylsulfonylundecanamide (CID 174284735) is 2-prop-2-enylsulfonylundecanamide.
What is the SMILES notation for 2-prop-2-enylsulfonylundecanamide?
The canonical SMILES for 2-prop-2-enylsulfonylundecanamide is C=CCS(=O)(=O)C(CCCCCCCCC)C(N)=O.
What is the InChIKey of 2-prop-2-enylsulfonylundecanamide?
The InChIKey is UHWSERSJOGFQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-3-5-6-7-8-9-10-11-13(14(15)16)19(17,18)12-4-2/h4,13H,2-3,5-12H2,1H3,(H2,15,16).
What are the key properties of 2-prop-2-enylsulfonylundecanamide?
2-prop-2-enylsulfonylundecanamide has a molecular weight of 289.44 g/mol, XLogP of 2.58, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfonylundecanamide is sourced from PubChem (CID 174284735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).