6-(dimethylamino)hexyl N-[(4-sulfamoylphenyl)methyl]carbamate

C16H27N3O4S — CID 6736715

IUPAC6-(dimethylamino)hexyl N-[(4-sulfamoylphenyl)methyl]carbamate
SMILESCN(C)CCCCCCOC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H27N3O4S/c1-19(2)11-5-3-4-6-12-23-16(20)18-13-14-7-9-15(10-8-14)24(17,21)22/h7-10H,3-6,11-13H2,1-2H3,(H,18,20)(H2,17,21,22)
InChIKeyWJGWMPJPXSPSKJ-UHFFFAOYSA-N
MW357.48 g/mol
LogP1.68
Rot. Bonds10

About 6-(dimethylamino)hexyl N-[(4-sulfamoylphenyl)methyl]carbamate

6-(dimethylamino)hexyl N-[(4-sulfamoylphenyl)methyl]carbamate (PubChem CID 6736715) has the molecular formula C16H27N3O4S and a molecular weight of 357.48 g/mol. Its IUPAC name is 6-(dimethylamino)hexyl N-[(4-sulfamoylphenyl)methyl]carbamate.

Molecular Properties

Compound Name6-(dimethylamino)hexyl N-[(4-sulfamoylphenyl)methyl]carbamate
PubChem CID6736715
Molecular FormulaC16H27N3O4S
Molecular Weight357.48 g/mol
Exact Mass357.17
IUPAC Name6-(dimethylamino)hexyl N-[(4-sulfamoylphenyl)methyl]carbamate
SMILESCN(C)CCCCCCOC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H27N3O4S/c1-19(2)11-5-3-4-6-12-23-16(20)18-13-14-7-9-15(10-8-14)24(17,21)22/h7-10H,3-6,11-13H2,1-2H3,(H,18,20)(H2,17,21,22)
InChIKeyWJGWMPJPXSPSKJ-UHFFFAOYSA-N
XLogP1.68
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 5054603
2-pyrrol-1-ylethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 6733948
non-2-ynyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 6735198
3-[butyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 108795325
4-heptoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 54783642
N-[(4-sulfamoylphenyl)methyl]heptanamide
CID 4072326
1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea
CID 24685233
N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4162938
2-methyl-2-(methylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 62834122
3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 60703250
1-[(2S)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(4-sulfamoylphenyl)methyl]urea
CID 95133886
butyl N-[(4-hydroxyphenyl)methyl]carbamate
CID 67634230

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)hexyl N-[(4-sulfamoylphenyl)methyl]carbamate?
The IUPAC name of 6-(dimethylamino)hexyl N-[(4-sulfamoylphenyl)methyl]carbamate (CID 6736715) is 6-(dimethylamino)hexyl N-[(4-sulfamoylphenyl)methyl]carbamate.
What is the SMILES notation for 6-(dimethylamino)hexyl N-[(4-sulfamoylphenyl)methyl]carbamate?
The canonical SMILES for 6-(dimethylamino)hexyl N-[(4-sulfamoylphenyl)methyl]carbamate is CN(C)CCCCCCOC(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 6-(dimethylamino)hexyl N-[(4-sulfamoylphenyl)methyl]carbamate?
The InChIKey is WJGWMPJPXSPSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4S/c1-19(2)11-5-3-4-6-12-23-16(20)18-13-14-7-9-15(10-8-14)24(17,21)22/h7-10H,3-6,11-13H2,1-2H3,(H,18,20)(H2,17,21,22).
What are the key properties of 6-(dimethylamino)hexyl N-[(4-sulfamoylphenyl)methyl]carbamate?
6-(dimethylamino)hexyl N-[(4-sulfamoylphenyl)methyl]carbamate has a molecular weight of 357.48 g/mol, XLogP of 1.68, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)hexyl N-[(4-sulfamoylphenyl)methyl]carbamate is sourced from PubChem (CID 6736715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).