N-ethyl-N-undecylmethanesulfonamide

C14H31NO2S — CID 91715479

IUPACN-ethyl-N-undecylmethanesulfonamide
SMILESCCCCCCCCCCCN(CC)S(C)(=O)=O
InChIInChI=1S/C14H31NO2S/c1-4-6-7-8-9-10-11-12-13-14-15(5-2)18(3,16)17/h4-14H2,1-3H3
InChIKeyGYCQCFNPIBSHOF-UHFFFAOYSA-N
MW277.47 g/mol
LogP3.80
Rot. Bonds12

About N-ethyl-N-undecylmethanesulfonamide

N-ethyl-N-undecylmethanesulfonamide (PubChem CID 91715479) has the molecular formula C14H31NO2S and a molecular weight of 277.47 g/mol. Its IUPAC name is N-ethyl-N-undecylmethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-undecylmethanesulfonamide
PubChem CID91715479
Molecular FormulaC14H31NO2S
Molecular Weight277.47 g/mol
Exact Mass277.21
IUPAC NameN-ethyl-N-undecylmethanesulfonamide
SMILESCCCCCCCCCCCN(CC)S(C)(=O)=O
InChIInChI=1S/C14H31NO2S/c1-4-6-7-8-9-10-11-12-13-14-15(5-2)18(3,16)17/h4-14H2,1-3H3
InChIKeyGYCQCFNPIBSHOF-UHFFFAOYSA-N
XLogP3.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.47
LogP ≤ 53.80
H-Bond Donors ≤ 50
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-ethyl-N-undecylmethanesulfonamide?
The IUPAC name of N-ethyl-N-undecylmethanesulfonamide (CID 91715479) is N-ethyl-N-undecylmethanesulfonamide.
What is the SMILES notation for N-ethyl-N-undecylmethanesulfonamide?
The canonical SMILES for N-ethyl-N-undecylmethanesulfonamide is CCCCCCCCCCCN(CC)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-undecylmethanesulfonamide?
The InChIKey is GYCQCFNPIBSHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2S/c1-4-6-7-8-9-10-11-12-13-14-15(5-2)18(3,16)17/h4-14H2,1-3H3.
What are the key properties of N-ethyl-N-undecylmethanesulfonamide?
N-ethyl-N-undecylmethanesulfonamide has a molecular weight of 277.47 g/mol, XLogP of 3.80, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-undecylmethanesulfonamide is sourced from PubChem (CID 91715479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).