3-[2-[[benzyl(ethyl)sulfamoyl]amino]ethyl]pyrrolidine

C15H25N3O2S — CID 119977245

IUPAC3-[2-[[benzyl(ethyl)sulfamoyl]amino]ethyl]pyrrolidine
SMILESCCN(Cc1ccccc1)S(=O)(=O)NCCC1CCNC1
InChIInChI=1S/C15H25N3O2S/c1-2-18(13-15-6-4-3-5-7-15)21(19,20)17-11-9-14-8-10-16-12-14/h3-7,14,16-17H,2,8-13H2,1H3
InChIKeyUAGFQRFOBACPES-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.34
Rot. Bonds8

About 3-[2-[[benzyl(ethyl)sulfamoyl]amino]ethyl]pyrrolidine

3-[2-[[benzyl(ethyl)sulfamoyl]amino]ethyl]pyrrolidine (PubChem CID 119977245) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-[2-[[benzyl(ethyl)sulfamoyl]amino]ethyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-[[benzyl(ethyl)sulfamoyl]amino]ethyl]pyrrolidine
PubChem CID119977245
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-[2-[[benzyl(ethyl)sulfamoyl]amino]ethyl]pyrrolidine
SMILESCCN(Cc1ccccc1)S(=O)(=O)NCCC1CCNC1
InChIInChI=1S/C15H25N3O2S/c1-2-18(13-15-6-4-3-5-7-15)21(19,20)17-11-9-14-8-10-16-12-14/h3-7,14,16-17H,2,8-13H2,1H3
InChIKeyUAGFQRFOBACPES-UHFFFAOYSA-N
XLogP1.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[benzyl(ethyl)sulfamoyl]amino]pyrrolidine;hydrochloride
CID 119967112
3-[2-[[ethyl(methyl)sulfamoyl]amino]ethyl]pyrrolidine
CID 119977011
3-[2-(diethylsulfamoylamino)ethyl]piperidine;hydrochloride
CID 119979613
1-[3-[[benzyl(ethyl)sulfamoyl]amino]propyl]piperazine;dihydrochloride
CID 119994518
3-[2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]ethyl]pyrrolidine
CID 119976912
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590
N-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide
CID 119977448
3-ethylsulfonyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977092
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine
CID 94408590
1-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)methanesulfonamide
CID 63624166
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[benzyl(ethyl)sulfamoyl]amino]ethyl]pyrrolidine?
The IUPAC name of 3-[2-[[benzyl(ethyl)sulfamoyl]amino]ethyl]pyrrolidine (CID 119977245) is 3-[2-[[benzyl(ethyl)sulfamoyl]amino]ethyl]pyrrolidine.
What is the SMILES notation for 3-[2-[[benzyl(ethyl)sulfamoyl]amino]ethyl]pyrrolidine?
The canonical SMILES for 3-[2-[[benzyl(ethyl)sulfamoyl]amino]ethyl]pyrrolidine is CCN(Cc1ccccc1)S(=O)(=O)NCCC1CCNC1.
What is the InChIKey of 3-[2-[[benzyl(ethyl)sulfamoyl]amino]ethyl]pyrrolidine?
The InChIKey is UAGFQRFOBACPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-2-18(13-15-6-4-3-5-7-15)21(19,20)17-11-9-14-8-10-16-12-14/h3-7,14,16-17H,2,8-13H2,1H3.
What are the key properties of 3-[2-[[benzyl(ethyl)sulfamoyl]amino]ethyl]pyrrolidine?
3-[2-[[benzyl(ethyl)sulfamoyl]amino]ethyl]pyrrolidine has a molecular weight of 311.45 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[benzyl(ethyl)sulfamoyl]amino]ethyl]pyrrolidine is sourced from PubChem (CID 119977245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).