2-N-methyl-2-N-[methyl(propyl)sulfamoyl]propane-1,2-diamine;hydrochloride

C8H22ClN3O2S — CID 119982402

IUPAC2-N-methyl-2-N-[methyl(propyl)sulfamoyl]propane-1,2-diamine;hydrochloride
SMILESCCCN(C)S(=O)(=O)N(C)C(C)CN.Cl
InChIInChI=1S/C8H21N3O2S.ClH/c1-5-6-10(3)14(12,13)11(4)8(2)7-9;/h8H,5-7,9H2,1-4H3;1H
InChIKeySJARNNXHPRRALD-UHFFFAOYSA-N
MW259.80 g/mol
LogP0.27
Rot. Bonds6

About 2-N-methyl-2-N-[methyl(propyl)sulfamoyl]propane-1,2-diamine;hydrochloride

2-N-methyl-2-N-[methyl(propyl)sulfamoyl]propane-1,2-diamine;hydrochloride (PubChem CID 119982402) has the molecular formula C8H22ClN3O2S and a molecular weight of 259.80 g/mol. Its IUPAC name is 2-N-methyl-2-N-[methyl(propyl)sulfamoyl]propane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-methyl-2-N-[methyl(propyl)sulfamoyl]propane-1,2-diamine;hydrochloride
PubChem CID119982402
Molecular FormulaC8H22ClN3O2S
Molecular Weight259.80 g/mol
Exact Mass259.11
IUPAC Name2-N-methyl-2-N-[methyl(propyl)sulfamoyl]propane-1,2-diamine;hydrochloride
SMILESCCCN(C)S(=O)(=O)N(C)C(C)CN.Cl
InChIInChI=1S/C8H21N3O2S.ClH/c1-5-6-10(3)14(12,13)11(4)8(2)7-9;/h8H,5-7,9H2,1-4H3;1H
InChIKeySJARNNXHPRRALD-UHFFFAOYSA-N
XLogP0.27
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.80
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[methyl(propyl)sulfamoyl]propane-1,2-diamine;hydrochloride?
The IUPAC name of 2-N-methyl-2-N-[methyl(propyl)sulfamoyl]propane-1,2-diamine;hydrochloride (CID 119982402) is 2-N-methyl-2-N-[methyl(propyl)sulfamoyl]propane-1,2-diamine;hydrochloride.
What is the SMILES notation for 2-N-methyl-2-N-[methyl(propyl)sulfamoyl]propane-1,2-diamine;hydrochloride?
The canonical SMILES for 2-N-methyl-2-N-[methyl(propyl)sulfamoyl]propane-1,2-diamine;hydrochloride is CCCN(C)S(=O)(=O)N(C)C(C)CN.Cl.
What is the InChIKey of 2-N-methyl-2-N-[methyl(propyl)sulfamoyl]propane-1,2-diamine;hydrochloride?
The InChIKey is SJARNNXHPRRALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O2S.ClH/c1-5-6-10(3)14(12,13)11(4)8(2)7-9;/h8H,5-7,9H2,1-4H3;1H.
What are the key properties of 2-N-methyl-2-N-[methyl(propyl)sulfamoyl]propane-1,2-diamine;hydrochloride?
2-N-methyl-2-N-[methyl(propyl)sulfamoyl]propane-1,2-diamine;hydrochloride has a molecular weight of 259.80 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[methyl(propyl)sulfamoyl]propane-1,2-diamine;hydrochloride is sourced from PubChem (CID 119982402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).