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

C11H27N3O4S — CID 54989695

IUPACN'-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]-N'-methylpropane-1,3-diamine
SMILESCOCCCN(CCOC)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C11H27N3O4S/c1-13(7-4-6-12)19(15,16)14(9-11-18-3)8-5-10-17-2/h4-12H2,1-3H3
InChIKeyWDFLNYXQOCCOGE-UHFFFAOYSA-N
MW297.42 g/mol
LogP-0.50
Rot. Bonds12

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

N'-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]-N'-methylpropane-1,3-diamine (PubChem CID 54989695) has the molecular formula C11H27N3O4S and a molecular weight of 297.42 g/mol. Its IUPAC name is N'-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]-N'-methylpropane-1,3-diamine
PubChem CID54989695
Molecular FormulaC11H27N3O4S
Molecular Weight297.42 g/mol
Exact Mass297.17
IUPAC NameN'-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]-N'-methylpropane-1,3-diamine
SMILESCOCCCN(CCOC)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C11H27N3O4S/c1-13(7-4-6-12)19(15,16)14(9-11-18-3)8-5-10-17-2/h4-12H2,1-3H3
InChIKeyWDFLNYXQOCCOGE-UHFFFAOYSA-N
XLogP-0.50
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]-N'-methylpropane-1,3-diamine (CID 54989695) is N'-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]-N'-methylpropane-1,3-diamine is COCCCN(CCOC)S(=O)(=O)N(C)CCCN.
What is the InChIKey of N'-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The InChIKey is WDFLNYXQOCCOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O4S/c1-13(7-4-6-12)19(15,16)14(9-11-18-3)8-5-10-17-2/h4-12H2,1-3H3.
What are the key properties of N'-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
N'-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]-N'-methylpropane-1,3-diamine has a molecular weight of 297.42 g/mol, XLogP of -0.50, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-methoxyethyl(3-methoxypropyl)sulfamoyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 54989695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).