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

C11H25N3O3S — CID 54951890

IUPACN'-methyl-N'-[methyl(oxan-2-ylmethyl)sulfamoyl]propane-1,3-diamine
SMILESCN(CCCN)S(=O)(=O)N(C)CC1CCCCO1
InChIInChI=1S/C11H25N3O3S/c1-13(8-5-7-12)18(15,16)14(2)10-11-6-3-4-9-17-11/h11H,3-10,12H2,1-2H3
InChIKeyARIJIGSYGSPUKT-UHFFFAOYSA-N
MW279.41 g/mol
LogP0.01
Rot. Bonds7

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

N'-methyl-N'-[methyl(oxan-2-ylmethyl)sulfamoyl]propane-1,3-diamine (PubChem CID 54951890) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is N'-methyl-N'-[methyl(oxan-2-ylmethyl)sulfamoyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[methyl(oxan-2-ylmethyl)sulfamoyl]propane-1,3-diamine
PubChem CID54951890
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC NameN'-methyl-N'-[methyl(oxan-2-ylmethyl)sulfamoyl]propane-1,3-diamine
SMILESCN(CCCN)S(=O)(=O)N(C)CC1CCCCO1
InChIInChI=1S/C11H25N3O3S/c1-13(8-5-7-12)18(15,16)14(2)10-11-6-3-4-9-17-11/h11H,3-10,12H2,1-2H3
InChIKeyARIJIGSYGSPUKT-UHFFFAOYSA-N
XLogP0.01
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[cyclopentylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 63630912
N-(3-aminopropyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide
CID 43254240
N-(dimethylsulfamoyl)-N-methyl-2-(oxan-2-yl)ethanamine
CID 110671768
N'-cyclopentyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 43591816
N-methyl-N-[[(2R)-oxan-2-yl]methyl]pentane-1-sulfonamide
CID 97306297
5-(2-aminoethyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide
CID 61436431
N-[3-[methyl-[[(2R)-oxan-2-yl]methyl]amino]propyl]methanesulfonamide
CID 97061252
N'-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine
CID 43137301
3-amino-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61436031
N-(3-aminopropyl)-N-methyl-3-(oxan-2-ylmethoxy)propanamide
CID 43254238
N-(3-aminopropyl)-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylpropanamide
CID 61433794
N-(3-aminopropyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 65152557

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[methyl(oxan-2-ylmethyl)sulfamoyl]propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-[methyl(oxan-2-ylmethyl)sulfamoyl]propane-1,3-diamine (CID 54951890) is N'-methyl-N'-[methyl(oxan-2-ylmethyl)sulfamoyl]propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-[methyl(oxan-2-ylmethyl)sulfamoyl]propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-[methyl(oxan-2-ylmethyl)sulfamoyl]propane-1,3-diamine is CN(CCCN)S(=O)(=O)N(C)CC1CCCCO1.
What is the InChIKey of N'-methyl-N'-[methyl(oxan-2-ylmethyl)sulfamoyl]propane-1,3-diamine?
The InChIKey is ARIJIGSYGSPUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-13(8-5-7-12)18(15,16)14(2)10-11-6-3-4-9-17-11/h11H,3-10,12H2,1-2H3.
What are the key properties of N'-methyl-N'-[methyl(oxan-2-ylmethyl)sulfamoyl]propane-1,3-diamine?
N'-methyl-N'-[methyl(oxan-2-ylmethyl)sulfamoyl]propane-1,3-diamine has a molecular weight of 279.41 g/mol, XLogP of 0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[methyl(oxan-2-ylmethyl)sulfamoyl]propane-1,3-diamine is sourced from PubChem (CID 54951890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).