1-[propan-2-ylsulfamoyl(propyl)amino]propane

C9H22N2O2S — CID 60750604

IUPAC1-[propan-2-ylsulfamoyl(propyl)amino]propane
SMILESCCCN(CCC)S(=O)(=O)NC(C)C
InChIInChI=1S/C9H22N2O2S/c1-5-7-11(8-6-2)14(12,13)10-9(3)4/h9-10H,5-8H2,1-4H3
InChIKeyUDDRPVBIYQEWQO-UHFFFAOYSA-N
MW222.35 g/mol
LogP1.35
Rot. Bonds7

About 1-[propan-2-ylsulfamoyl(propyl)amino]propane

1-[propan-2-ylsulfamoyl(propyl)amino]propane (PubChem CID 60750604) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is 1-[propan-2-ylsulfamoyl(propyl)amino]propane.

Molecular Properties

Compound Name1-[propan-2-ylsulfamoyl(propyl)amino]propane
PubChem CID60750604
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC Name1-[propan-2-ylsulfamoyl(propyl)amino]propane
SMILESCCCN(CCC)S(=O)(=O)NC(C)C
InChIInChI=1S/C9H22N2O2S/c1-5-7-11(8-6-2)14(12,13)10-9(3)4/h9-10H,5-8H2,1-4H3
InChIKeyUDDRPVBIYQEWQO-UHFFFAOYSA-N
XLogP1.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[propan-2-ylsulfamoyl(propyl)amino]propane?
The IUPAC name of 1-[propan-2-ylsulfamoyl(propyl)amino]propane (CID 60750604) is 1-[propan-2-ylsulfamoyl(propyl)amino]propane.
What is the SMILES notation for 1-[propan-2-ylsulfamoyl(propyl)amino]propane?
The canonical SMILES for 1-[propan-2-ylsulfamoyl(propyl)amino]propane is CCCN(CCC)S(=O)(=O)NC(C)C.
What is the InChIKey of 1-[propan-2-ylsulfamoyl(propyl)amino]propane?
The InChIKey is UDDRPVBIYQEWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-5-7-11(8-6-2)14(12,13)10-9(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-[propan-2-ylsulfamoyl(propyl)amino]propane?
1-[propan-2-ylsulfamoyl(propyl)amino]propane has a molecular weight of 222.35 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[propan-2-ylsulfamoyl(propyl)amino]propane is sourced from PubChem (CID 60750604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).