N'-[butan-2-yl(2-methoxyethyl)sulfamoyl]-N'-methylpropane-1,3-diamine

C11H27N3O3S — CID 54999903

IUPACN'-[butan-2-yl(2-methoxyethyl)sulfamoyl]-N'-methylpropane-1,3-diamine
SMILESCCC(C)N(CCOC)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C11H27N3O3S/c1-5-11(2)14(9-10-17-4)18(15,16)13(3)8-6-7-12/h11H,5-10,12H2,1-4H3
InChIKeyXSFWWDWLFUWBIA-UHFFFAOYSA-N
MW281.42 g/mol
LogP0.26
Rot. Bonds10

About N'-[butan-2-yl(2-methoxyethyl)sulfamoyl]-N'-methylpropane-1,3-diamine

N'-[butan-2-yl(2-methoxyethyl)sulfamoyl]-N'-methylpropane-1,3-diamine (PubChem CID 54999903) has the molecular formula C11H27N3O3S and a molecular weight of 281.42 g/mol. Its IUPAC name is N'-[butan-2-yl(2-methoxyethyl)sulfamoyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[butan-2-yl(2-methoxyethyl)sulfamoyl]-N'-methylpropane-1,3-diamine
PubChem CID54999903
Molecular FormulaC11H27N3O3S
Molecular Weight281.42 g/mol
Exact Mass281.18
IUPAC NameN'-[butan-2-yl(2-methoxyethyl)sulfamoyl]-N'-methylpropane-1,3-diamine
SMILESCCC(C)N(CCOC)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C11H27N3O3S/c1-5-11(2)14(9-10-17-4)18(15,16)13(3)8-6-7-12/h11H,5-10,12H2,1-4H3
InChIKeyXSFWWDWLFUWBIA-UHFFFAOYSA-N
XLogP0.26
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[butan-2-yl(2-methoxyethyl)sulfamoyl]-N'-methylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[butan-2-yl(2-methoxyethyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[butan-2-yl(2-methoxyethyl)sulfamoyl]-N'-methylpropane-1,3-diamine (CID 54999903) is N'-[butan-2-yl(2-methoxyethyl)sulfamoyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[butan-2-yl(2-methoxyethyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[butan-2-yl(2-methoxyethyl)sulfamoyl]-N'-methylpropane-1,3-diamine is CCC(C)N(CCOC)S(=O)(=O)N(C)CCCN.
What is the InChIKey of N'-[butan-2-yl(2-methoxyethyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The InChIKey is XSFWWDWLFUWBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O3S/c1-5-11(2)14(9-10-17-4)18(15,16)13(3)8-6-7-12/h11H,5-10,12H2,1-4H3.
What are the key properties of N'-[butan-2-yl(2-methoxyethyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
N'-[butan-2-yl(2-methoxyethyl)sulfamoyl]-N'-methylpropane-1,3-diamine has a molecular weight of 281.42 g/mol, XLogP of 0.26, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[butan-2-yl(2-methoxyethyl)sulfamoyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 54999903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).