N-(propylsulfamoyl)propan-1-amine

C6H16N2O2S — CID 15729847

IUPACN-(propylsulfamoyl)propan-1-amine
SMILESCCCNS(=O)(=O)NCCC
InChIInChI=1S/C6H16N2O2S/c1-3-5-7-11(9,10)8-6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyWZSYGQBBMAMMTB-UHFFFAOYSA-N
MW180.27 g/mol
LogP0.23
Rot. Bonds6

About N-(propylsulfamoyl)propan-1-amine

N-(propylsulfamoyl)propan-1-amine (PubChem CID 15729847) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is N-(propylsulfamoyl)propan-1-amine.

Molecular Properties

Compound NameN-(propylsulfamoyl)propan-1-amine
PubChem CID15729847
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC NameN-(propylsulfamoyl)propan-1-amine
SMILESCCCNS(=O)(=O)NCCC
InChIInChI=1S/C6H16N2O2S/c1-3-5-7-11(9,10)8-6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyWZSYGQBBMAMMTB-UHFFFAOYSA-N
XLogP0.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(propylsulfamoyl)propan-1-amine?
The IUPAC name of N-(propylsulfamoyl)propan-1-amine (CID 15729847) is N-(propylsulfamoyl)propan-1-amine.
What is the SMILES notation for N-(propylsulfamoyl)propan-1-amine?
The canonical SMILES for N-(propylsulfamoyl)propan-1-amine is CCCNS(=O)(=O)NCCC.
What is the InChIKey of N-(propylsulfamoyl)propan-1-amine?
The InChIKey is WZSYGQBBMAMMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-3-5-7-11(9,10)8-6-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of N-(propylsulfamoyl)propan-1-amine?
N-(propylsulfamoyl)propan-1-amine has a molecular weight of 180.27 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propylsulfamoyl)propan-1-amine is sourced from PubChem (CID 15729847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).