N,N-didecylmethanesulfonamide

C21H45NO2S — CID 533132

IUPACN,N-didecylmethanesulfonamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)S(C)(=O)=O
InChIInChI=1S/C21H45NO2S/c1-4-6-8-10-12-14-16-18-20-22(25(3,23)24)21-19-17-15-13-11-9-7-5-2/h4-21H2,1-3H3
InChIKeyQEJUTSHLAWNZCJ-UHFFFAOYSA-N
MW375.66 g/mol
LogP6.53
Rot. Bonds19

About N,N-didecylmethanesulfonamide

N,N-didecylmethanesulfonamide (PubChem CID 533132) has the molecular formula C21H45NO2S and a molecular weight of 375.66 g/mol. Its IUPAC name is N,N-didecylmethanesulfonamide.

Molecular Properties

Compound NameN,N-didecylmethanesulfonamide
PubChem CID533132
Molecular FormulaC21H45NO2S
Molecular Weight375.66 g/mol
Exact Mass375.32
IUPAC NameN,N-didecylmethanesulfonamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)S(C)(=O)=O
InChIInChI=1S/C21H45NO2S/c1-4-6-8-10-12-14-16-18-20-22(25(3,23)24)21-19-17-15-13-11-9-7-5-2/h4-21H2,1-3H3
InChIKeyQEJUTSHLAWNZCJ-UHFFFAOYSA-N
XLogP6.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.66
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-didecylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-didecylmethanesulfonamide?
The IUPAC name of N,N-didecylmethanesulfonamide (CID 533132) is N,N-didecylmethanesulfonamide.
What is the SMILES notation for N,N-didecylmethanesulfonamide?
The canonical SMILES for N,N-didecylmethanesulfonamide is CCCCCCCCCCN(CCCCCCCCCC)S(C)(=O)=O.
What is the InChIKey of N,N-didecylmethanesulfonamide?
The InChIKey is QEJUTSHLAWNZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45NO2S/c1-4-6-8-10-12-14-16-18-20-22(25(3,23)24)21-19-17-15-13-11-9-7-5-2/h4-21H2,1-3H3.
What are the key properties of N,N-didecylmethanesulfonamide?
N,N-didecylmethanesulfonamide has a molecular weight of 375.66 g/mol, XLogP of 6.53, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-didecylmethanesulfonamide is sourced from PubChem (CID 533132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).