2-(dimethylamino)-N-octadecylethanesulfonamide

C22H48N2O2S — CID 91693805

IUPAC2-(dimethylamino)-N-octadecylethanesulfonamide
SMILESCCCCCCCCCCCCCCCCCCNS(=O)(=O)CCN(C)C
InChIInChI=1S/C22H48N2O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27(25,26)22-21-24(2)3/h23H,4-22H2,1-3H3
InChIKeyBSZHRIJBCXFSAH-UHFFFAOYSA-N
MW404.71 g/mol
LogP5.73
Rot. Bonds21

About 2-(dimethylamino)-N-octadecylethanesulfonamide

2-(dimethylamino)-N-octadecylethanesulfonamide (PubChem CID 91693805) has the molecular formula C22H48N2O2S and a molecular weight of 404.71 g/mol. Its IUPAC name is 2-(dimethylamino)-N-octadecylethanesulfonamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-octadecylethanesulfonamide
PubChem CID91693805
Molecular FormulaC22H48N2O2S
Molecular Weight404.71 g/mol
Exact Mass404.34
IUPAC Name2-(dimethylamino)-N-octadecylethanesulfonamide
SMILESCCCCCCCCCCCCCCCCCCNS(=O)(=O)CCN(C)C
InChIInChI=1S/C22H48N2O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27(25,26)22-21-24(2)3/h23H,4-22H2,1-3H3
InChIKeyBSZHRIJBCXFSAH-UHFFFAOYSA-N
XLogP5.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.71
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylamino)butyl]propane-1-sulfonamide
CID 64586138
N-octadecylpropane-1-sulfonamide
CID 88827291
N-decylbutane-1-sulfonamide
CID 19681427
N,N'-dihexadecylmethanedisulfonamide
CID 140586841
6-chloro-N-pentylhexane-1-sulfonamide
CID 57134163
N-(5-bromopentyl)butane-1-sulfonamide
CID 107323070
N-(6-iodohexyl)butane-1-sulfonamide
CID 107848989
N-(10-cyanodecyl)decane-1-sulfonamide
CID 152541431
bis(N,N-dimethylnonadecan-1-amine);sulfuric acid
CID 175167546
N-[3-(ethylamino)propyl]nonane-1-sulfonamide
CID 59769773
11-(octylsulfonylamino)undecanoic acid
CID 4605614
N-[5-[cyclohexyl(methyl)amino]pentyl]butane-1-sulfonamide
CID 110440573

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-octadecylethanesulfonamide?
The IUPAC name of 2-(dimethylamino)-N-octadecylethanesulfonamide (CID 91693805) is 2-(dimethylamino)-N-octadecylethanesulfonamide.
What is the SMILES notation for 2-(dimethylamino)-N-octadecylethanesulfonamide?
The canonical SMILES for 2-(dimethylamino)-N-octadecylethanesulfonamide is CCCCCCCCCCCCCCCCCCNS(=O)(=O)CCN(C)C.
What is the InChIKey of 2-(dimethylamino)-N-octadecylethanesulfonamide?
The InChIKey is BSZHRIJBCXFSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N2O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27(25,26)22-21-24(2)3/h23H,4-22H2,1-3H3.
What are the key properties of 2-(dimethylamino)-N-octadecylethanesulfonamide?
2-(dimethylamino)-N-octadecylethanesulfonamide has a molecular weight of 404.71 g/mol, XLogP of 5.73, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-octadecylethanesulfonamide is sourced from PubChem (CID 91693805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).