1-[methylsulfamoyl(propyl)amino]propane

C7H18N2O2S — CID 22273216

IUPAC1-[methylsulfamoyl(propyl)amino]propane
SMILESCCCN(CCC)S(=O)(=O)NC
InChIInChI=1S/C7H18N2O2S/c1-4-6-9(7-5-2)12(10,11)8-3/h8H,4-7H2,1-3H3
InChIKeyPIFRRZFJWIGRLT-UHFFFAOYSA-N
MW194.30 g/mol
LogP0.57
Rot. Bonds6

About 1-[methylsulfamoyl(propyl)amino]propane

1-[methylsulfamoyl(propyl)amino]propane (PubChem CID 22273216) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 1-[methylsulfamoyl(propyl)amino]propane.

Molecular Properties

Compound Name1-[methylsulfamoyl(propyl)amino]propane
PubChem CID22273216
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC Name1-[methylsulfamoyl(propyl)amino]propane
SMILESCCCN(CCC)S(=O)(=O)NC
InChIInChI=1S/C7H18N2O2S/c1-4-6-9(7-5-2)12(10,11)8-3/h8H,4-7H2,1-3H3
InChIKeyPIFRRZFJWIGRLT-UHFFFAOYSA-N
XLogP0.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[methylsulfamoyl(propyl)amino]propane?
The IUPAC name of 1-[methylsulfamoyl(propyl)amino]propane (CID 22273216) is 1-[methylsulfamoyl(propyl)amino]propane.
What is the SMILES notation for 1-[methylsulfamoyl(propyl)amino]propane?
The canonical SMILES for 1-[methylsulfamoyl(propyl)amino]propane is CCCN(CCC)S(=O)(=O)NC.
What is the InChIKey of 1-[methylsulfamoyl(propyl)amino]propane?
The InChIKey is PIFRRZFJWIGRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-4-6-9(7-5-2)12(10,11)8-3/h8H,4-7H2,1-3H3.
What are the key properties of 1-[methylsulfamoyl(propyl)amino]propane?
1-[methylsulfamoyl(propyl)amino]propane has a molecular weight of 194.30 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methylsulfamoyl(propyl)amino]propane is sourced from PubChem (CID 22273216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).