3-(aminomethyl)-3-[[butyl(methyl)sulfamoyl]amino]pentane

C11H27N3O2S — CID 63888194

IUPAC3-(aminomethyl)-3-[[butyl(methyl)sulfamoyl]amino]pentane
SMILESCCCCN(C)S(=O)(=O)NC(CC)(CC)CN
InChIInChI=1S/C11H27N3O2S/c1-5-8-9-14(4)17(15,16)13-11(6-2,7-3)10-12/h13H,5-10,12H2,1-4H3
InChIKeyJKOWENXOTWYLSL-UHFFFAOYSA-N
MW265.42 g/mol
LogP1.07
Rot. Bonds9

About 3-(aminomethyl)-3-[[butyl(methyl)sulfamoyl]amino]pentane

3-(aminomethyl)-3-[[butyl(methyl)sulfamoyl]amino]pentane (PubChem CID 63888194) has the molecular formula C11H27N3O2S and a molecular weight of 265.42 g/mol. Its IUPAC name is 3-(aminomethyl)-3-[[butyl(methyl)sulfamoyl]amino]pentane.

Molecular Properties

Compound Name3-(aminomethyl)-3-[[butyl(methyl)sulfamoyl]amino]pentane
PubChem CID63888194
Molecular FormulaC11H27N3O2S
Molecular Weight265.42 g/mol
Exact Mass265.18
IUPAC Name3-(aminomethyl)-3-[[butyl(methyl)sulfamoyl]amino]pentane
SMILESCCCCN(C)S(=O)(=O)NC(CC)(CC)CN
InChIInChI=1S/C11H27N3O2S/c1-5-8-9-14(4)17(15,16)13-11(6-2,7-3)10-12/h13H,5-10,12H2,1-4H3
InChIKeyJKOWENXOTWYLSL-UHFFFAOYSA-N
XLogP1.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-[[butyl(methyl)sulfamoyl]amino]pentane?
The IUPAC name of 3-(aminomethyl)-3-[[butyl(methyl)sulfamoyl]amino]pentane (CID 63888194) is 3-(aminomethyl)-3-[[butyl(methyl)sulfamoyl]amino]pentane.
What is the SMILES notation for 3-(aminomethyl)-3-[[butyl(methyl)sulfamoyl]amino]pentane?
The canonical SMILES for 3-(aminomethyl)-3-[[butyl(methyl)sulfamoyl]amino]pentane is CCCCN(C)S(=O)(=O)NC(CC)(CC)CN.
What is the InChIKey of 3-(aminomethyl)-3-[[butyl(methyl)sulfamoyl]amino]pentane?
The InChIKey is JKOWENXOTWYLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O2S/c1-5-8-9-14(4)17(15,16)13-11(6-2,7-3)10-12/h13H,5-10,12H2,1-4H3.
What are the key properties of 3-(aminomethyl)-3-[[butyl(methyl)sulfamoyl]amino]pentane?
3-(aminomethyl)-3-[[butyl(methyl)sulfamoyl]amino]pentane has a molecular weight of 265.42 g/mol, XLogP of 1.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-[[butyl(methyl)sulfamoyl]amino]pentane is sourced from PubChem (CID 63888194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).