pentylsulfamoyl N-benzylcarbamate

C13H20N2O4S — CID 91389428

IUPACpentylsulfamoyl N-benzylcarbamate
SMILESCCCCCNS(=O)(=O)OC(=O)NCc1ccccc1
InChIInChI=1S/C13H20N2O4S/c1-2-3-7-10-15-20(17,18)19-13(16)14-11-12-8-5-4-6-9-12/h4-6,8-9,15H,2-3,7,10-11H2,1H3,(H,14,16)
InChIKeyVTUGEPIXUZULDF-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.94
Rot. Bonds8

About pentylsulfamoyl N-benzylcarbamate

pentylsulfamoyl N-benzylcarbamate (PubChem CID 91389428) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is pentylsulfamoyl N-benzylcarbamate.

Molecular Properties

Compound Namepentylsulfamoyl N-benzylcarbamate
PubChem CID91389428
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Namepentylsulfamoyl N-benzylcarbamate
SMILESCCCCCNS(=O)(=O)OC(=O)NCc1ccccc1
InChIInChI=1S/C13H20N2O4S/c1-2-3-7-10-15-20(17,18)19-13(16)14-11-12-8-5-4-6-9-12/h4-6,8-9,15H,2-3,7,10-11H2,1H3,(H,14,16)
InChIKeyVTUGEPIXUZULDF-UHFFFAOYSA-N
XLogP1.94
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propylsulfamoyl N-benzylcarbamate
CID 90890692
2-pyridin-2-ylethylsulfamoyl N-benzylcarbamate
CID 91276890
2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide
CID 164886020
N-octadecyl-1-phenylmethanesulfonamide
CID 139636949
N-(benzylsulfamoyl)butan-1-amine
CID 15569640
benzene;ethyl N-benzylcarbamate
CID 67715166
N-benzylundecanamide
CID 5078198
1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109135020
1-benzyl-3-undecylthiourea
CID 19651318
2-aminohexyl N-benzylcarbamate
CID 142770372
N-[[4-(hexylsulfamoyl)phenyl]methyl]acetamide
CID 17473598
[(1E,7E,13E,19Z)-8-(benzylcarbamoyloxymethyl)-13,20-bis(octadecylcarbamoyloxymethyl)cyclotetracosa-1,7,13,19-tetraen-3,5,9,11,15,17,21,23-octayn-1-yl]methyl N-benzylcarbamate
CID 177490797

Frequently Asked Questions

What is the IUPAC name of pentylsulfamoyl N-benzylcarbamate?
The IUPAC name of pentylsulfamoyl N-benzylcarbamate (CID 91389428) is pentylsulfamoyl N-benzylcarbamate.
What is the SMILES notation for pentylsulfamoyl N-benzylcarbamate?
The canonical SMILES for pentylsulfamoyl N-benzylcarbamate is CCCCCNS(=O)(=O)OC(=O)NCc1ccccc1.
What is the InChIKey of pentylsulfamoyl N-benzylcarbamate?
The InChIKey is VTUGEPIXUZULDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-2-3-7-10-15-20(17,18)19-13(16)14-11-12-8-5-4-6-9-12/h4-6,8-9,15H,2-3,7,10-11H2,1H3,(H,14,16).
What are the key properties of pentylsulfamoyl N-benzylcarbamate?
pentylsulfamoyl N-benzylcarbamate has a molecular weight of 300.38 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentylsulfamoyl N-benzylcarbamate is sourced from PubChem (CID 91389428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).