benzyl cyclododecylsulfamoylformate

C20H31NO4S — CID 166991953

IUPACbenzyl cyclododecylsulfamoylformate
SMILESO=C(OCc1ccccc1)S(=O)(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C20H31NO4S/c22-20(25-17-18-13-9-8-10-14-18)26(23,24)21-19-15-11-6-4-2-1-3-5-7-12-16-19/h8-10,13-14,19,21H,1-7,11-12,15-17H2
InChIKeyIXXXPHPXRANDLZ-UHFFFAOYSA-N
MW381.54 g/mol
LogP4.92
Rot. Bonds4

About benzyl cyclododecylsulfamoylformate

benzyl cyclododecylsulfamoylformate (PubChem CID 166991953) has the molecular formula C20H31NO4S and a molecular weight of 381.54 g/mol. Its IUPAC name is benzyl cyclododecylsulfamoylformate.

Molecular Properties

Compound Namebenzyl cyclododecylsulfamoylformate
PubChem CID166991953
Molecular FormulaC20H31NO4S
Molecular Weight381.54 g/mol
Exact Mass381.20
IUPAC Namebenzyl cyclododecylsulfamoylformate
SMILESO=C(OCc1ccccc1)S(=O)(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C20H31NO4S/c22-20(25-17-18-13-9-8-10-14-18)26(23,24)21-19-15-11-6-4-2-1-3-5-7-12-16-19/h8-10,13-14,19,21H,1-7,11-12,15-17H2
InChIKeyIXXXPHPXRANDLZ-UHFFFAOYSA-N
XLogP4.92
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzyl cyclododecylsulfamoylformate with MolForge

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

Launch Full Analysis

Related Compounds

benzyl N-[(4-methylcyclohexyl)sulfamoyl]carbamate
CID 86617683
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-cyclohexylsulfonylcarbamate
CID 122231428
benzyl(cyclohexylsulfamoyl)carbamic acid
CID 66859599
benzyl 3-(methylamino)piperidine-1-carboxylate
CID 45072221
benzyl 2-(cyclopentylamino)propanoate
CID 123711216
benzyl (3R)-3-(cyclobutylamino)pyrrolidine-1-carboxylate
CID 175852571
benzyl (3S)-3-amino-4-(cyclohexylamino)-4-oxobutanoate
CID 165352812
benzyl 3-amino-4-(cyclododecylamino)-4-oxobutanoate
CID 14373253
benzyl 5-(cyclohexylamino)-2,5-dioxopentanoate
CID 134398280
benzyl N-[(2S)-2-cyclohexylpent-4-enyl]carbamate
CID 160872437
benzyl carbamate;N-prop-2-enylcyclohexanamine
CID 156861851

Frequently Asked Questions

What is the IUPAC name of benzyl cyclododecylsulfamoylformate?
The IUPAC name of benzyl cyclododecylsulfamoylformate (CID 166991953) is benzyl cyclododecylsulfamoylformate.
What is the SMILES notation for benzyl cyclododecylsulfamoylformate?
The canonical SMILES for benzyl cyclododecylsulfamoylformate is O=C(OCc1ccccc1)S(=O)(=O)NC1CCCCCCCCCCC1.
What is the InChIKey of benzyl cyclododecylsulfamoylformate?
The InChIKey is IXXXPHPXRANDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO4S/c22-20(25-17-18-13-9-8-10-14-18)26(23,24)21-19-15-11-6-4-2-1-3-5-7-12-16-19/h8-10,13-14,19,21H,1-7,11-12,15-17H2.
What are the key properties of benzyl cyclododecylsulfamoylformate?
benzyl cyclododecylsulfamoylformate has a molecular weight of 381.54 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl cyclododecylsulfamoylformate is sourced from PubChem (CID 166991953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).