N-decylmethanesulfonamide

C11H25NO2S — CID 3340536

IUPACN-decylmethanesulfonamide
SMILESCCCCCCCCCCNS(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-3-4-5-6-7-8-9-10-11-12-15(2,13)14/h12H,3-11H2,1-2H3
InChIKeyUHHBGJFMQREEOH-UHFFFAOYSA-N
MW235.39 g/mol
LogP2.68
Rot. Bonds10

About N-decylmethanesulfonamide

N-decylmethanesulfonamide (PubChem CID 3340536) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N-decylmethanesulfonamide.

Molecular Properties

Compound NameN-decylmethanesulfonamide
PubChem CID3340536
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN-decylmethanesulfonamide
SMILESCCCCCCCCCCNS(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-3-4-5-6-7-8-9-10-11-12-15(2,13)14/h12H,3-11H2,1-2H3
InChIKeyUHHBGJFMQREEOH-UHFFFAOYSA-N
XLogP2.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 52.68
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-decylmethanesulfonamide?
The IUPAC name of N-decylmethanesulfonamide (CID 3340536) is N-decylmethanesulfonamide.
What is the SMILES notation for N-decylmethanesulfonamide?
The canonical SMILES for N-decylmethanesulfonamide is CCCCCCCCCCNS(C)(=O)=O.
What is the InChIKey of N-decylmethanesulfonamide?
The InChIKey is UHHBGJFMQREEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-3-4-5-6-7-8-9-10-11-12-15(2,13)14/h12H,3-11H2,1-2H3.
What are the key properties of N-decylmethanesulfonamide?
N-decylmethanesulfonamide has a molecular weight of 235.39 g/mol, XLogP of 2.68, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-decylmethanesulfonamide is sourced from PubChem (CID 3340536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).