1-[[2-methoxyethyl(methyl)sulfamoyl]amino]-2-(methylamino)propane

C8H21N3O3S — CID 120824684

IUPAC1-[[2-methoxyethyl(methyl)sulfamoyl]amino]-2-(methylamino)propane
SMILESCNC(C)CNS(=O)(=O)N(C)CCOC
InChIInChI=1S/C8H21N3O3S/c1-8(9-2)7-10-15(12,13)11(3)5-6-14-4/h8-10H,5-7H2,1-4H3
InChIKeyMFQQAWBYMFBSKZ-UHFFFAOYSA-N
MW239.34 g/mol
LogP-0.99
Rot. Bonds8

About 1-[[2-methoxyethyl(methyl)sulfamoyl]amino]-2-(methylamino)propane

1-[[2-methoxyethyl(methyl)sulfamoyl]amino]-2-(methylamino)propane (PubChem CID 120824684) has the molecular formula C8H21N3O3S and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-[[2-methoxyethyl(methyl)sulfamoyl]amino]-2-(methylamino)propane.

Molecular Properties

Compound Name1-[[2-methoxyethyl(methyl)sulfamoyl]amino]-2-(methylamino)propane
PubChem CID120824684
Molecular FormulaC8H21N3O3S
Molecular Weight239.34 g/mol
Exact Mass239.13
IUPAC Name1-[[2-methoxyethyl(methyl)sulfamoyl]amino]-2-(methylamino)propane
SMILESCNC(C)CNS(=O)(=O)N(C)CCOC
InChIInChI=1S/C8H21N3O3S/c1-8(9-2)7-10-15(12,13)11(3)5-6-14-4/h8-10H,5-7H2,1-4H3
InChIKeyMFQQAWBYMFBSKZ-UHFFFAOYSA-N
XLogP-0.99
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-methoxyethyl(methyl)sulfamoyl]amino]-2-(methylamino)propane?
The IUPAC name of 1-[[2-methoxyethyl(methyl)sulfamoyl]amino]-2-(methylamino)propane (CID 120824684) is 1-[[2-methoxyethyl(methyl)sulfamoyl]amino]-2-(methylamino)propane.
What is the SMILES notation for 1-[[2-methoxyethyl(methyl)sulfamoyl]amino]-2-(methylamino)propane?
The canonical SMILES for 1-[[2-methoxyethyl(methyl)sulfamoyl]amino]-2-(methylamino)propane is CNC(C)CNS(=O)(=O)N(C)CCOC.
What is the InChIKey of 1-[[2-methoxyethyl(methyl)sulfamoyl]amino]-2-(methylamino)propane?
The InChIKey is MFQQAWBYMFBSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O3S/c1-8(9-2)7-10-15(12,13)11(3)5-6-14-4/h8-10H,5-7H2,1-4H3.
What are the key properties of 1-[[2-methoxyethyl(methyl)sulfamoyl]amino]-2-(methylamino)propane?
1-[[2-methoxyethyl(methyl)sulfamoyl]amino]-2-(methylamino)propane has a molecular weight of 239.34 g/mol, XLogP of -0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methoxyethyl(methyl)sulfamoyl]amino]-2-(methylamino)propane is sourced from PubChem (CID 120824684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).