N'-methyl-N'-[methyl(oxolan-3-yl)sulfamoyl]-N-propylpropane-1,3-diamine

C12H27N3O3S — CID 82745275

IUPACN'-methyl-N'-[methyl(oxolan-3-yl)sulfamoyl]-N-propylpropane-1,3-diamine
SMILESCCCNCCCN(C)S(=O)(=O)N(C)C1CCOC1
InChIInChI=1S/C12H27N3O3S/c1-4-7-13-8-5-9-14(2)19(16,17)15(3)12-6-10-18-11-12/h12-13H,4-11H2,1-3H3
InChIKeyHBDBJEYFASUUPP-UHFFFAOYSA-N
MW293.43 g/mol
LogP0.27
Rot. Bonds9

About N'-methyl-N'-[methyl(oxolan-3-yl)sulfamoyl]-N-propylpropane-1,3-diamine

N'-methyl-N'-[methyl(oxolan-3-yl)sulfamoyl]-N-propylpropane-1,3-diamine (PubChem CID 82745275) has the molecular formula C12H27N3O3S and a molecular weight of 293.43 g/mol. Its IUPAC name is N'-methyl-N'-[methyl(oxolan-3-yl)sulfamoyl]-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[methyl(oxolan-3-yl)sulfamoyl]-N-propylpropane-1,3-diamine
PubChem CID82745275
Molecular FormulaC12H27N3O3S
Molecular Weight293.43 g/mol
Exact Mass293.18
IUPAC NameN'-methyl-N'-[methyl(oxolan-3-yl)sulfamoyl]-N-propylpropane-1,3-diamine
SMILESCCCNCCCN(C)S(=O)(=O)N(C)C1CCOC1
InChIInChI=1S/C12H27N3O3S/c1-4-7-13-8-5-9-14(2)19(16,17)15(3)12-6-10-18-11-12/h12-13H,4-11H2,1-3H3
InChIKeyHBDBJEYFASUUPP-UHFFFAOYSA-N
XLogP0.27
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-methyl-N'-[methyl(oxolan-3-yl)sulfamoyl]-N-propylpropane-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

3-[methyl-[methyl(oxolan-3-yl)sulfamoyl]amino]propan-1-ol
CID 82746138
N'-methyl-N'-(oxan-4-yl)-N-propylpentane-1,5-diamine
CID 62431846
N-methyl-N-(oxolan-3-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 82748702
N-methyl-3-(methylamino)-N-(oxolan-3-yl)propane-1-sulfonamide
CID 82744486
N-methyl-N-(oxolan-3-yl)-4-(propylamino)benzenesulfonamide
CID 82744052
N-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyridine-2-sulfonamide
CID 82749058
[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane
CID 106058824
N-methyl-4-(methylamino)-N-(oxolan-3-yl)butane-1-sulfonamide
CID 82745164
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylpropane-1,3-diamine
CID 63726668
2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propan-2-ylcyclopropane
CID 106091151
N-(3-ethoxypropyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754548
N'-methyl-N'-(oxan-4-yl)-N-pentylethane-1,2-diamine
CID 62560454

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[methyl(oxolan-3-yl)sulfamoyl]-N-propylpropane-1,3-diamine?
The IUPAC name of N'-methyl-N'-[methyl(oxolan-3-yl)sulfamoyl]-N-propylpropane-1,3-diamine (CID 82745275) is N'-methyl-N'-[methyl(oxolan-3-yl)sulfamoyl]-N-propylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-[methyl(oxolan-3-yl)sulfamoyl]-N-propylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-[methyl(oxolan-3-yl)sulfamoyl]-N-propylpropane-1,3-diamine is CCCNCCCN(C)S(=O)(=O)N(C)C1CCOC1.
What is the InChIKey of N'-methyl-N'-[methyl(oxolan-3-yl)sulfamoyl]-N-propylpropane-1,3-diamine?
The InChIKey is HBDBJEYFASUUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3S/c1-4-7-13-8-5-9-14(2)19(16,17)15(3)12-6-10-18-11-12/h12-13H,4-11H2,1-3H3.
What are the key properties of N'-methyl-N'-[methyl(oxolan-3-yl)sulfamoyl]-N-propylpropane-1,3-diamine?
N'-methyl-N'-[methyl(oxolan-3-yl)sulfamoyl]-N-propylpropane-1,3-diamine has a molecular weight of 293.43 g/mol, XLogP of 0.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[methyl(oxolan-3-yl)sulfamoyl]-N-propylpropane-1,3-diamine is sourced from PubChem (CID 82745275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).