1-[[2-aminoethyl(2-methoxyethyl)sulfamoyl]amino]propane

C8H21N3O3S — CID 114812958

IUPAC1-[[2-aminoethyl(2-methoxyethyl)sulfamoyl]amino]propane
SMILESCCCNS(=O)(=O)N(CCN)CCOC
InChIInChI=1S/C8H21N3O3S/c1-3-5-10-15(12,13)11(6-4-9)7-8-14-2/h10H,3-9H2,1-2H3
InChIKeyKECFXAAFZKRULV-UHFFFAOYSA-N
MW239.34 g/mol
LogP-0.86
Rot. Bonds9

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

1-[[2-aminoethyl(2-methoxyethyl)sulfamoyl]amino]propane (PubChem CID 114812958) has the molecular formula C8H21N3O3S and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-[[2-aminoethyl(2-methoxyethyl)sulfamoyl]amino]propane.

Molecular Properties

Compound Name1-[[2-aminoethyl(2-methoxyethyl)sulfamoyl]amino]propane
PubChem CID114812958
Molecular FormulaC8H21N3O3S
Molecular Weight239.34 g/mol
Exact Mass239.13
IUPAC Name1-[[2-aminoethyl(2-methoxyethyl)sulfamoyl]amino]propane
SMILESCCCNS(=O)(=O)N(CCN)CCOC
InChIInChI=1S/C8H21N3O3S/c1-3-5-10-15(12,13)11(6-4-9)7-8-14-2/h10H,3-9H2,1-2H3
InChIKeyKECFXAAFZKRULV-UHFFFAOYSA-N
XLogP-0.86
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-Ethanediamine, N,N-bis(2-methoxyethyl)-
CID 7138275
2-[[2-Aminoethyl(2-methoxyethyl)sulfamoyl]amino]-1,1,1-trifluoroethane
CID 113637720
N~1~,N~2~-Bis(2-methoxyethyl)ethane-1,2-diamine
CID 13599000
1-(Diethylsulfamoylamino)-2-methoxyethane
CID 60713711
1-Methoxy-2-[2-methoxyethyl(methylsulfamoyl)amino]ethane
CID 87595754
1-Methoxy-2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethane
CID 87596555
N-[2-[bis(2-methoxyethyl)amino]ethyl]thiohydroxylamine
CID 144215997
1-[[Ethyl(methyl)sulfamoyl]amino]-2-methoxyethane
CID 155587246
N',N'-bis(2-propoxyethyl)ethane-1,2-diamine
CID 160827166
N,N'-bis(2-propoxyethyl)ethane-1,2-diamine
CID 160986013
N-ethyl-N-[1-methoxy-2-(methylamino)ethyl]thiohydroxylamine
CID 166806848
N'-(2-ethoxyethyl)ethane-1,2-diamine;1-methoxypropane
CID 168195594

Frequently Asked Questions

What is the IUPAC name of 1-[[2-aminoethyl(2-methoxyethyl)sulfamoyl]amino]propane?
The IUPAC name of 1-[[2-aminoethyl(2-methoxyethyl)sulfamoyl]amino]propane (CID 114812958) is 1-[[2-aminoethyl(2-methoxyethyl)sulfamoyl]amino]propane.
What is the SMILES notation for 1-[[2-aminoethyl(2-methoxyethyl)sulfamoyl]amino]propane?
The canonical SMILES for 1-[[2-aminoethyl(2-methoxyethyl)sulfamoyl]amino]propane is CCCNS(=O)(=O)N(CCN)CCOC.
What is the InChIKey of 1-[[2-aminoethyl(2-methoxyethyl)sulfamoyl]amino]propane?
The InChIKey is KECFXAAFZKRULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O3S/c1-3-5-10-15(12,13)11(6-4-9)7-8-14-2/h10H,3-9H2,1-2H3.
What are the key properties of 1-[[2-aminoethyl(2-methoxyethyl)sulfamoyl]amino]propane?
1-[[2-aminoethyl(2-methoxyethyl)sulfamoyl]amino]propane has a molecular weight of 239.34 g/mol, XLogP of -0.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-aminoethyl(2-methoxyethyl)sulfamoyl]amino]propane is sourced from PubChem (CID 114812958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).