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

C12H29N3O3S — CID 55002624

IUPACN'-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-N'-methylpropane-1,3-diamine
SMILESCCC(CC)N(CCOC)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C12H29N3O3S/c1-5-12(6-2)15(10-11-18-4)19(16,17)14(3)9-7-8-13/h12H,5-11,13H2,1-4H3
InChIKeyPBBNJJIOPDWZGO-UHFFFAOYSA-N
MW295.45 g/mol
LogP0.65
Rot. Bonds11

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

N'-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-N'-methylpropane-1,3-diamine (PubChem CID 55002624) has the molecular formula C12H29N3O3S and a molecular weight of 295.45 g/mol. Its IUPAC name is N'-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-N'-methylpropane-1,3-diamine
PubChem CID55002624
Molecular FormulaC12H29N3O3S
Molecular Weight295.45 g/mol
Exact Mass295.19
IUPAC NameN'-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-N'-methylpropane-1,3-diamine
SMILESCCC(CC)N(CCOC)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C12H29N3O3S/c1-5-12(6-2)15(10-11-18-4)19(16,17)14(3)9-7-8-13/h12H,5-11,13H2,1-4H3
InChIKeyPBBNJJIOPDWZGO-UHFFFAOYSA-N
XLogP0.65
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[2-methoxyethyl(pentan-3-yl)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

Related Compounds

N-(dimethylsulfamoyl)-N-(2-methoxyethyl)pentan-3-amine
CID 78881826
N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide
CID 60773925
1-bromo-N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide
CID 83084265
N'-[ethyl(2-ethylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 54952614
N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43137377
N-(3-aminopropyl)-2-[2-methoxyethyl(propan-2-yl)amino]-N-methylacetamide
CID 82949330
N-(3-aminopropyl)-N-(2-methoxyethyl)butane-1-sulfonamide
CID 63287729
N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 43137192
2-[[3-aminopropyl(2-methoxyethyl)sulfamoyl]amino]-2-methylpropane
CID 114804003
N-(3-aminopropyl)-N-(2-methoxyethyl)-1-methylsulfonylmethanesulfonamide
CID 82839573
5-methoxy-4-N-(2-methoxyethyl)-4-N-methylpentane-1,4-diamine
CID 103391769
4-amino-3-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbenzenesulfonamide
CID 62058154

Frequently Asked Questions

What is the IUPAC name of N'-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-N'-methylpropane-1,3-diamine (CID 55002624) is N'-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-N'-methylpropane-1,3-diamine is CCC(CC)N(CCOC)S(=O)(=O)N(C)CCCN.
What is the InChIKey of N'-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The InChIKey is PBBNJJIOPDWZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O3S/c1-5-12(6-2)15(10-11-18-4)19(16,17)14(3)9-7-8-13/h12H,5-11,13H2,1-4H3.
What are the key properties of N'-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-N'-methylpropane-1,3-diamine?
N'-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-N'-methylpropane-1,3-diamine has a molecular weight of 295.45 g/mol, XLogP of 0.65, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 55002624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).