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

C11H27N3O3S — CID 54987243

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

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

N'-[2-methoxyethyl(2-methylpropyl)sulfamoyl]-N'-methylpropane-1,3-diamine (PubChem CID 54987243) has the molecular formula C11H27N3O3S and a molecular weight of 281.42 g/mol. Its IUPAC name is N'-[2-methoxyethyl(2-methylpropyl)sulfamoyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-methoxyethyl(2-methylpropyl)sulfamoyl]-N'-methylpropane-1,3-diamine
PubChem CID54987243
Molecular FormulaC11H27N3O3S
Molecular Weight281.42 g/mol
Exact Mass281.18
IUPAC NameN'-[2-methoxyethyl(2-methylpropyl)sulfamoyl]-N'-methylpropane-1,3-diamine
SMILESCOCCN(CC(C)C)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C11H27N3O3S/c1-11(2)10-14(8-9-17-4)18(15,16)13(3)7-5-6-12/h11H,5-10,12H2,1-4H3
InChIKeyMTMURJAOHVAZTO-UHFFFAOYSA-N
XLogP0.12
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 ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Amino-3-[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
CID 114803998
N,N'-bis(2-methoxyethyl)-2-methylpropane-1,3-diamine
CID 22075508
N',N'-bis(2-methoxyethyl)-2-methylpropane-1,3-diamine
CID 24271983
N-(3-aminopropyl)-N-methylmorpholine-4-sulfonamide
CID 28783227
(2S)-2-[(diethylsulfamoylamino)methyl]-4-(2-methylpropyl)morpholine
CID 40061349
(2R)-2-[(diethylsulfamoylamino)methyl]-4-(2-methylpropyl)morpholine
CID 40061352
2-[(Diethylsulfamoylamino)methyl]-4-(2-methylpropyl)morpholine
CID 42958069
N-(3-aminopropyl)-N-ethylmorpholine-4-sulfonamide
CID 43136912
N-(3-aminopropyl)-N-propylmorpholine-4-sulfonamide
CID 43136935
N-[3-(methylamino)propyl]morpholine-4-sulfonamide
CID 43602848
N-[3-(ethylamino)propyl]morpholine-4-sulfonamide
CID 43606633
2,6-dimethyl-N-(2-methylpropyl)morpholine-4-sulfonamide
CID 46511152

Frequently Asked Questions

What is the IUPAC name of N'-[2-methoxyethyl(2-methylpropyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[2-methoxyethyl(2-methylpropyl)sulfamoyl]-N'-methylpropane-1,3-diamine (CID 54987243) is N'-[2-methoxyethyl(2-methylpropyl)sulfamoyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-methoxyethyl(2-methylpropyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[2-methoxyethyl(2-methylpropyl)sulfamoyl]-N'-methylpropane-1,3-diamine is COCCN(CC(C)C)S(=O)(=O)N(C)CCCN.
What is the InChIKey of N'-[2-methoxyethyl(2-methylpropyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The InChIKey is MTMURJAOHVAZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O3S/c1-11(2)10-14(8-9-17-4)18(15,16)13(3)7-5-6-12/h11H,5-10,12H2,1-4H3.
What are the key properties of N'-[2-methoxyethyl(2-methylpropyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
N'-[2-methoxyethyl(2-methylpropyl)sulfamoyl]-N'-methylpropane-1,3-diamine has a molecular weight of 281.42 g/mol, XLogP of 0.12, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-methoxyethyl(2-methylpropyl)sulfamoyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 54987243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).