N'-methyl-N'-[methyl(2-methylpropyl)sulfamoyl]propane-1,3-diamine

C9H23N3O2S — CID 61456285

IUPACN'-methyl-N'-[methyl(2-methylpropyl)sulfamoyl]propane-1,3-diamine
SMILESCC(C)CN(C)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C9H23N3O2S/c1-9(2)8-12(4)15(13,14)11(3)7-5-6-10/h9H,5-8,10H2,1-4H3
InChIKeyRGRBNUAOZIECGD-UHFFFAOYSA-N
MW237.37 g/mol
LogP0.10
Rot. Bonds7

About N'-methyl-N'-[methyl(2-methylpropyl)sulfamoyl]propane-1,3-diamine

N'-methyl-N'-[methyl(2-methylpropyl)sulfamoyl]propane-1,3-diamine (PubChem CID 61456285) has the molecular formula C9H23N3O2S and a molecular weight of 237.37 g/mol. Its IUPAC name is N'-methyl-N'-[methyl(2-methylpropyl)sulfamoyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[methyl(2-methylpropyl)sulfamoyl]propane-1,3-diamine
PubChem CID61456285
Molecular FormulaC9H23N3O2S
Molecular Weight237.37 g/mol
Exact Mass237.15
IUPAC NameN'-methyl-N'-[methyl(2-methylpropyl)sulfamoyl]propane-1,3-diamine
SMILESCC(C)CN(C)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C9H23N3O2S/c1-9(2)8-12(4)15(13,14)11(3)7-5-6-10/h9H,5-8,10H2,1-4H3
InChIKeyRGRBNUAOZIECGD-UHFFFAOYSA-N
XLogP0.10
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[methyl(2-methylpropyl)sulfamoyl]propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-[methyl(2-methylpropyl)sulfamoyl]propane-1,3-diamine (CID 61456285) is N'-methyl-N'-[methyl(2-methylpropyl)sulfamoyl]propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-[methyl(2-methylpropyl)sulfamoyl]propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-[methyl(2-methylpropyl)sulfamoyl]propane-1,3-diamine is CC(C)CN(C)S(=O)(=O)N(C)CCCN.
What is the InChIKey of N'-methyl-N'-[methyl(2-methylpropyl)sulfamoyl]propane-1,3-diamine?
The InChIKey is RGRBNUAOZIECGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O2S/c1-9(2)8-12(4)15(13,14)11(3)7-5-6-10/h9H,5-8,10H2,1-4H3.
What are the key properties of N'-methyl-N'-[methyl(2-methylpropyl)sulfamoyl]propane-1,3-diamine?
N'-methyl-N'-[methyl(2-methylpropyl)sulfamoyl]propane-1,3-diamine has a molecular weight of 237.37 g/mol, XLogP of 0.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[methyl(2-methylpropyl)sulfamoyl]propane-1,3-diamine is sourced from PubChem (CID 61456285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).