2-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]oxane

C12H27N3O3S — CID 106094370

IUPAC2-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]oxane
SMILESCNCCCN(C)S(=O)(=O)NCCC1CCCCO1
InChIInChI=1S/C12H27N3O3S/c1-13-8-5-10-15(2)19(16,17)14-9-7-12-6-3-4-11-18-12/h12-14H,3-11H2,1-2H3
InChIKeyCRHULPKEQLDEOS-UHFFFAOYSA-N
MW293.43 g/mol
LogP0.32
Rot. Bonds9

About 2-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]oxane

2-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]oxane (PubChem CID 106094370) has the molecular formula C12H27N3O3S and a molecular weight of 293.43 g/mol. Its IUPAC name is 2-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]oxane.

Molecular Properties

Compound Name2-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]oxane
PubChem CID106094370
Molecular FormulaC12H27N3O3S
Molecular Weight293.43 g/mol
Exact Mass293.18
IUPAC Name2-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]oxane
SMILESCNCCCN(C)S(=O)(=O)NCCC1CCCCO1
InChIInChI=1S/C12H27N3O3S/c1-13-8-5-10-15(2)19(16,17)14-9-7-12-6-3-4-11-18-12/h12-14H,3-11H2,1-2H3
InChIKeyCRHULPKEQLDEOS-UHFFFAOYSA-N
XLogP0.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-N-[2-(oxan-2-yl)ethyl]ethanesulfonamide
CID 106000159
2-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]oxolane
CID 114106932
N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine
CID 61436273
N-(dimethylsulfamoyl)-N-methyl-2-(oxan-2-yl)ethanamine
CID 110671768
N,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61436191
2-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclopentane
CID 54952302
N-[3-[methyl-[[(2R)-oxan-2-yl]methyl]amino]propyl]methanesulfonamide
CID 97061252
1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propan-2-ylcyclopropane
CID 113476469
1-[2-[di(propan-2-yl)amino]ethylsulfamoyl-methylamino]-3-(methylamino)propane
CID 106041029
N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246513
1,1-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106068925
N'-methyl-N'-[methyl(oxan-2-ylmethyl)sulfamoyl]propane-1,3-diamine
CID 54951890

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]oxane?
The IUPAC name of 2-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]oxane (CID 106094370) is 2-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]oxane.
What is the SMILES notation for 2-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]oxane?
The canonical SMILES for 2-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]oxane is CNCCCN(C)S(=O)(=O)NCCC1CCCCO1.
What is the InChIKey of 2-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]oxane?
The InChIKey is CRHULPKEQLDEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3S/c1-13-8-5-10-15(2)19(16,17)14-9-7-12-6-3-4-11-18-12/h12-14H,3-11H2,1-2H3.
What are the key properties of 2-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]oxane?
2-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]oxane has a molecular weight of 293.43 g/mol, XLogP of 0.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]oxane is sourced from PubChem (CID 106094370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).