3-[[benzyl(ethyl)sulfamoyl]amino]pyrrolidine;hydrochloride

C13H22ClN3O2S — CID 119967112

IUPAC3-[[benzyl(ethyl)sulfamoyl]amino]pyrrolidine;hydrochloride
SMILESCCN(Cc1ccccc1)S(=O)(=O)NC1CCNC1.Cl
InChIInChI=1S/C13H21N3O2S.ClH/c1-2-16(11-12-6-4-3-5-7-12)19(17,18)15-13-8-9-14-10-13;/h3-7,13-15H,2,8-11H2,1H3;1H
InChIKeyBIJRUNCRKJDKHI-UHFFFAOYSA-N
MW319.86 g/mol
LogP1.13
Rot. Bonds6

About 3-[[benzyl(ethyl)sulfamoyl]amino]pyrrolidine;hydrochloride

3-[[benzyl(ethyl)sulfamoyl]amino]pyrrolidine;hydrochloride (PubChem CID 119967112) has the molecular formula C13H22ClN3O2S and a molecular weight of 319.86 g/mol. Its IUPAC name is 3-[[benzyl(ethyl)sulfamoyl]amino]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-[[benzyl(ethyl)sulfamoyl]amino]pyrrolidine;hydrochloride
PubChem CID119967112
Molecular FormulaC13H22ClN3O2S
Molecular Weight319.86 g/mol
Exact Mass319.11
IUPAC Name3-[[benzyl(ethyl)sulfamoyl]amino]pyrrolidine;hydrochloride
SMILESCCN(Cc1ccccc1)S(=O)(=O)NC1CCNC1.Cl
InChIInChI=1S/C13H21N3O2S.ClH/c1-2-16(11-12-6-4-3-5-7-12)19(17,18)15-13-8-9-14-10-13;/h3-7,13-15H,2,8-11H2,1H3;1H
InChIKeyBIJRUNCRKJDKHI-UHFFFAOYSA-N
XLogP1.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(ethyl)sulfamoyl]amino]pyrrolidine;hydrochloride?
The IUPAC name of 3-[[benzyl(ethyl)sulfamoyl]amino]pyrrolidine;hydrochloride (CID 119967112) is 3-[[benzyl(ethyl)sulfamoyl]amino]pyrrolidine;hydrochloride.
What is the SMILES notation for 3-[[benzyl(ethyl)sulfamoyl]amino]pyrrolidine;hydrochloride?
The canonical SMILES for 3-[[benzyl(ethyl)sulfamoyl]amino]pyrrolidine;hydrochloride is CCN(Cc1ccccc1)S(=O)(=O)NC1CCNC1.Cl.
What is the InChIKey of 3-[[benzyl(ethyl)sulfamoyl]amino]pyrrolidine;hydrochloride?
The InChIKey is BIJRUNCRKJDKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S.ClH/c1-2-16(11-12-6-4-3-5-7-12)19(17,18)15-13-8-9-14-10-13;/h3-7,13-15H,2,8-11H2,1H3;1H.
What are the key properties of 3-[[benzyl(ethyl)sulfamoyl]amino]pyrrolidine;hydrochloride?
3-[[benzyl(ethyl)sulfamoyl]amino]pyrrolidine;hydrochloride has a molecular weight of 319.86 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(ethyl)sulfamoyl]amino]pyrrolidine;hydrochloride is sourced from PubChem (CID 119967112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).