N-undecylethanesulfonamide

C13H29NO2S — CID 4619558

IUPACN-undecylethanesulfonamide
SMILESCCCCCCCCCCCNS(=O)(=O)CC
InChIInChI=1S/C13H29NO2S/c1-3-5-6-7-8-9-10-11-12-13-14-17(15,16)4-2/h14H,3-13H2,1-2H3
InChIKeyJRAYCHPUHWIWNR-UHFFFAOYSA-N
MW263.45 g/mol
LogP3.46
Rot. Bonds12

About N-undecylethanesulfonamide

N-undecylethanesulfonamide (PubChem CID 4619558) has the molecular formula C13H29NO2S and a molecular weight of 263.45 g/mol. Its IUPAC name is N-undecylethanesulfonamide.

Molecular Properties

Compound NameN-undecylethanesulfonamide
PubChem CID4619558
Molecular FormulaC13H29NO2S
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC NameN-undecylethanesulfonamide
SMILESCCCCCCCCCCCNS(=O)(=O)CC
InChIInChI=1S/C13H29NO2S/c1-3-5-6-7-8-9-10-11-12-13-14-17(15,16)4-2/h14H,3-13H2,1-2H3
InChIKeyJRAYCHPUHWIWNR-UHFFFAOYSA-N
XLogP3.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-undecylethanesulfonamide?
The IUPAC name of N-undecylethanesulfonamide (CID 4619558) is N-undecylethanesulfonamide.
What is the SMILES notation for N-undecylethanesulfonamide?
The canonical SMILES for N-undecylethanesulfonamide is CCCCCCCCCCCNS(=O)(=O)CC.
What is the InChIKey of N-undecylethanesulfonamide?
The InChIKey is JRAYCHPUHWIWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2S/c1-3-5-6-7-8-9-10-11-12-13-14-17(15,16)4-2/h14H,3-13H2,1-2H3.
What are the key properties of N-undecylethanesulfonamide?
N-undecylethanesulfonamide has a molecular weight of 263.45 g/mol, XLogP of 3.46, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-undecylethanesulfonamide is sourced from PubChem (CID 4619558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).