6-[[butyl(methyl)sulfamoyl]amino]-3-azabicyclo[3.1.0]hexane

C10H21N3O2S — CID 43597420

IUPAC6-[[butyl(methyl)sulfamoyl]amino]-3-azabicyclo[3.1.0]hexane
SMILESCCCCN(C)S(=O)(=O)NC1C2CNCC21
InChIInChI=1S/C10H21N3O2S/c1-3-4-5-13(2)16(14,15)12-10-8-6-11-7-9(8)10/h8-12H,3-7H2,1-2H3
InChIKeyKWWKYOOBIHETKN-UHFFFAOYSA-N
MW247.36 g/mol
LogP-0.23
Rot. Bonds6

About 6-[[butyl(methyl)sulfamoyl]amino]-3-azabicyclo[3.1.0]hexane

6-[[butyl(methyl)sulfamoyl]amino]-3-azabicyclo[3.1.0]hexane (PubChem CID 43597420) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is 6-[[butyl(methyl)sulfamoyl]amino]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-[[butyl(methyl)sulfamoyl]amino]-3-azabicyclo[3.1.0]hexane
PubChem CID43597420
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name6-[[butyl(methyl)sulfamoyl]amino]-3-azabicyclo[3.1.0]hexane
SMILESCCCCN(C)S(=O)(=O)NC1C2CNCC21
InChIInChI=1S/C10H21N3O2S/c1-3-4-5-13(2)16(14,15)12-10-8-6-11-7-9(8)10/h8-12H,3-7H2,1-2H3
InChIKeyKWWKYOOBIHETKN-UHFFFAOYSA-N
XLogP-0.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[butyl(methyl)sulfamoyl]amino]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-[[butyl(methyl)sulfamoyl]amino]-3-azabicyclo[3.1.0]hexane (CID 43597420) is 6-[[butyl(methyl)sulfamoyl]amino]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-[[butyl(methyl)sulfamoyl]amino]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-[[butyl(methyl)sulfamoyl]amino]-3-azabicyclo[3.1.0]hexane is CCCCN(C)S(=O)(=O)NC1C2CNCC21.
What is the InChIKey of 6-[[butyl(methyl)sulfamoyl]amino]-3-azabicyclo[3.1.0]hexane?
The InChIKey is KWWKYOOBIHETKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-3-4-5-13(2)16(14,15)12-10-8-6-11-7-9(8)10/h8-12H,3-7H2,1-2H3.
What are the key properties of 6-[[butyl(methyl)sulfamoyl]amino]-3-azabicyclo[3.1.0]hexane?
6-[[butyl(methyl)sulfamoyl]amino]-3-azabicyclo[3.1.0]hexane has a molecular weight of 247.36 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[butyl(methyl)sulfamoyl]amino]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 43597420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).