2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]pyrrolidine

C9H21N3O2S — CID 106607017

IUPAC2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]pyrrolidine
SMILESCC(C)NS(=O)(=O)N(C)CC1CCCN1
InChIInChI=1S/C9H21N3O2S/c1-8(2)11-15(13,14)12(3)7-9-5-4-6-10-9/h8-11H,4-7H2,1-3H3
InChIKeyOQTKAYYNQRJATR-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.09
Rot. Bonds5

About 2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]pyrrolidine

2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]pyrrolidine (PubChem CID 106607017) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]pyrrolidine.

Molecular Properties

Compound Name2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]pyrrolidine
PubChem CID106607017
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]pyrrolidine
SMILESCC(C)NS(=O)(=O)N(C)CC1CCCN1
InChIInChI=1S/C9H21N3O2S/c1-8(2)11-15(13,14)12(3)7-9-5-4-6-10-9/h8-11H,4-7H2,1-3H3
InChIKeyOQTKAYYNQRJATR-UHFFFAOYSA-N
XLogP-0.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]pyrrolidine?
The IUPAC name of 2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]pyrrolidine (CID 106607017) is 2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]pyrrolidine.
What is the SMILES notation for 2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]pyrrolidine?
The canonical SMILES for 2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]pyrrolidine is CC(C)NS(=O)(=O)N(C)CC1CCCN1.
What is the InChIKey of 2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]pyrrolidine?
The InChIKey is OQTKAYYNQRJATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-8(2)11-15(13,14)12(3)7-9-5-4-6-10-9/h8-11H,4-7H2,1-3H3.
What are the key properties of 2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]pyrrolidine?
2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]pyrrolidine has a molecular weight of 235.35 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]pyrrolidine is sourced from PubChem (CID 106607017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).