1,3-diamino-2-(dimethylsulfamoylamino)propane

C5H16N4O2S — CID 23564058

IUPAC1,3-diamino-2-(dimethylsulfamoylamino)propane
SMILESCN(C)S(=O)(=O)NC(CN)CN
InChIInChI=1S/C5H16N4O2S/c1-9(2)12(10,11)8-5(3-6)4-7/h5,8H,3-4,6-7H2,1-2H3
InChIKeyDLUQBCIOQPVHMZ-UHFFFAOYSA-N
MW196.28 g/mol
LogP-2.33
Rot. Bonds5

About 1,3-diamino-2-(dimethylsulfamoylamino)propane

1,3-diamino-2-(dimethylsulfamoylamino)propane (PubChem CID 23564058) has the molecular formula C5H16N4O2S and a molecular weight of 196.28 g/mol. Its IUPAC name is 1,3-diamino-2-(dimethylsulfamoylamino)propane.

Molecular Properties

Compound Name1,3-diamino-2-(dimethylsulfamoylamino)propane
PubChem CID23564058
Molecular FormulaC5H16N4O2S
Molecular Weight196.28 g/mol
Exact Mass196.10
IUPAC Name1,3-diamino-2-(dimethylsulfamoylamino)propane
SMILESCN(C)S(=O)(=O)NC(CN)CN
InChIInChI=1S/C5H16N4O2S/c1-9(2)12(10,11)8-5(3-6)4-7/h5,8H,3-4,6-7H2,1-2H3
InChIKeyDLUQBCIOQPVHMZ-UHFFFAOYSA-N
XLogP-2.33
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 5-2.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Dimethyl{[(methylpropyl)amino]sulfonyl}amine
CID 4285151
Dimethyl n-isopropylsulfamide
CID 3834904
1,1-Dimethyl-2-[(dimethylamino)sulfonylamino]ethylamine
CID 13603865
2-[[Methyl(propan-2-yl)sulfamoyl]amino]propane
CID 22591038
2-[Di(propan-2-yl)sulfamoylamino]propane
CID 23598036
Diethyl n-isopropylsulfamide
CID 53256756
1-Amino-2-(dimethylsulfamoylamino)-2-methylpropane
CID 61124368
CID 88743482
CID 88743482
2-[Ethyl(ethylsulfamoyl)amino]propane
CID 89245378
2-(Dimethylamino)-1-(dimethylsulfamoylamino)propane
CID 126622062
2-[[Ethyl(methyl)sulfamoyl]amino]propane
CID 131225975
2-[Methylsulfamoyl(propan-2-yl)amino]propane
CID 154074394

Frequently Asked Questions

What is the IUPAC name of 1,3-diamino-2-(dimethylsulfamoylamino)propane?
The IUPAC name of 1,3-diamino-2-(dimethylsulfamoylamino)propane (CID 23564058) is 1,3-diamino-2-(dimethylsulfamoylamino)propane.
What is the SMILES notation for 1,3-diamino-2-(dimethylsulfamoylamino)propane?
The canonical SMILES for 1,3-diamino-2-(dimethylsulfamoylamino)propane is CN(C)S(=O)(=O)NC(CN)CN.
What is the InChIKey of 1,3-diamino-2-(dimethylsulfamoylamino)propane?
The InChIKey is DLUQBCIOQPVHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H16N4O2S/c1-9(2)12(10,11)8-5(3-6)4-7/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of 1,3-diamino-2-(dimethylsulfamoylamino)propane?
1,3-diamino-2-(dimethylsulfamoylamino)propane has a molecular weight of 196.28 g/mol, XLogP of -2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diamino-2-(dimethylsulfamoylamino)propane is sourced from PubChem (CID 23564058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).