benzyl N-[3-(3-sulfamoylpropylamino)cyclobutyl]carbamate

C15H23N3O4S — CID 103393346

IUPACbenzyl N-[3-(3-sulfamoylpropylamino)cyclobutyl]carbamate
SMILESNS(=O)(=O)CCCNC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H23N3O4S/c16-23(20,21)8-4-7-17-13-9-14(10-13)18-15(19)22-11-12-5-2-1-3-6-12/h1-3,5-6,13-14,17H,4,7-11H2,(H,18,19)(H2,16,20,21)
InChIKeyBTWXCGJOYILKAC-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.71
Rot. Bonds8

About benzyl N-[3-(3-sulfamoylpropylamino)cyclobutyl]carbamate

benzyl N-[3-(3-sulfamoylpropylamino)cyclobutyl]carbamate (PubChem CID 103393346) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is benzyl N-[3-(3-sulfamoylpropylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(3-sulfamoylpropylamino)cyclobutyl]carbamate
PubChem CID103393346
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Namebenzyl N-[3-(3-sulfamoylpropylamino)cyclobutyl]carbamate
SMILESNS(=O)(=O)CCCNC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H23N3O4S/c16-23(20,21)8-4-7-17-13-9-14(10-13)18-15(19)22-11-12-5-2-1-3-6-12/h1-3,5-6,13-14,17H,4,7-11H2,(H,18,19)(H2,16,20,21)
InChIKeyBTWXCGJOYILKAC-UHFFFAOYSA-N
XLogP0.71
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate
CID 103392992
benzyl N-[3-[3-(cyclopropylmethoxy)propylamino]cyclobutyl]carbamate
CID 103392919
benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
CID 103393812
benzyl N-[3-(3-imidazol-1-ylpropylamino)cyclobutyl]carbamate
CID 103392953
benzyl N-[3-[2-(4-fluorophenyl)ethylamino]cyclobutyl]carbamate
CID 103392750
benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]cyclobutyl]carbamate
CID 107241414
benzyl N-[3-(3-methylsulfanylbutylamino)cyclobutyl]carbamate
CID 103393780
benzyl N-[3-[3-(oxolan-2-ylmethoxy)propylamino]cyclobutyl]carbamate
CID 103392907
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl N-[3-[(3-hydroxy-2-methylpropyl)amino]cyclobutyl]carbamate
CID 103393487

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(3-sulfamoylpropylamino)cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-(3-sulfamoylpropylamino)cyclobutyl]carbamate (CID 103393346) is benzyl N-[3-(3-sulfamoylpropylamino)cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-(3-sulfamoylpropylamino)cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-(3-sulfamoylpropylamino)cyclobutyl]carbamate is NS(=O)(=O)CCCNC1CC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[3-(3-sulfamoylpropylamino)cyclobutyl]carbamate?
The InChIKey is BTWXCGJOYILKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c16-23(20,21)8-4-7-17-13-9-14(10-13)18-15(19)22-11-12-5-2-1-3-6-12/h1-3,5-6,13-14,17H,4,7-11H2,(H,18,19)(H2,16,20,21).
What are the key properties of benzyl N-[3-(3-sulfamoylpropylamino)cyclobutyl]carbamate?
benzyl N-[3-(3-sulfamoylpropylamino)cyclobutyl]carbamate has a molecular weight of 341.43 g/mol, XLogP of 0.71, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(3-sulfamoylpropylamino)cyclobutyl]carbamate is sourced from PubChem (CID 103393346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).