N'-[bis(2-methylpropyl)sulfamoyl]-N'-methylpropane-1,3-diamine

C12H29N3O2S — CID 54952616

IUPACN'-[bis(2-methylpropyl)sulfamoyl]-N'-methylpropane-1,3-diamine
SMILESCC(C)CN(CC(C)C)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C12H29N3O2S/c1-11(2)9-15(10-12(3)4)18(16,17)14(5)8-6-7-13/h11-12H,6-10,13H2,1-5H3
InChIKeyGEDJQMLHOLIQRZ-UHFFFAOYSA-N
MW279.45 g/mol
LogP1.13
Rot. Bonds9

About N'-[bis(2-methylpropyl)sulfamoyl]-N'-methylpropane-1,3-diamine

N'-[bis(2-methylpropyl)sulfamoyl]-N'-methylpropane-1,3-diamine (PubChem CID 54952616) has the molecular formula C12H29N3O2S and a molecular weight of 279.45 g/mol. Its IUPAC name is N'-[bis(2-methylpropyl)sulfamoyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[bis(2-methylpropyl)sulfamoyl]-N'-methylpropane-1,3-diamine
PubChem CID54952616
Molecular FormulaC12H29N3O2S
Molecular Weight279.45 g/mol
Exact Mass279.20
IUPAC NameN'-[bis(2-methylpropyl)sulfamoyl]-N'-methylpropane-1,3-diamine
SMILESCC(C)CN(CC(C)C)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C12H29N3O2S/c1-11(2)9-15(10-12(3)4)18(16,17)14(5)8-6-7-13/h11-12H,6-10,13H2,1-5H3
InChIKeyGEDJQMLHOLIQRZ-UHFFFAOYSA-N
XLogP1.13
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[bis(2-methylpropyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[bis(2-methylpropyl)sulfamoyl]-N'-methylpropane-1,3-diamine (CID 54952616) is N'-[bis(2-methylpropyl)sulfamoyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[bis(2-methylpropyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[bis(2-methylpropyl)sulfamoyl]-N'-methylpropane-1,3-diamine is CC(C)CN(CC(C)C)S(=O)(=O)N(C)CCCN.
What is the InChIKey of N'-[bis(2-methylpropyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The InChIKey is GEDJQMLHOLIQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O2S/c1-11(2)9-15(10-12(3)4)18(16,17)14(5)8-6-7-13/h11-12H,6-10,13H2,1-5H3.
What are the key properties of N'-[bis(2-methylpropyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
N'-[bis(2-methylpropyl)sulfamoyl]-N'-methylpropane-1,3-diamine has a molecular weight of 279.45 g/mol, XLogP of 1.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[bis(2-methylpropyl)sulfamoyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 54952616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).