1-[propan-2-yl(sulfamoyl)amino]propane

C6H16N2O2S — CID 43269865

IUPAC1-[propan-2-yl(sulfamoyl)amino]propane
SMILESCCCN(C(C)C)S(N)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-4-5-8(6(2)3)11(7,9)10/h6H,4-5H2,1-3H3,(H2,7,9,10)
InChIKeyTWMFMMHWTZMQJV-UHFFFAOYSA-N
MW180.27 g/mol
LogP0.31
Rot. Bonds4

About 1-[propan-2-yl(sulfamoyl)amino]propane

1-[propan-2-yl(sulfamoyl)amino]propane (PubChem CID 43269865) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is 1-[propan-2-yl(sulfamoyl)amino]propane.

Molecular Properties

Compound Name1-[propan-2-yl(sulfamoyl)amino]propane
PubChem CID43269865
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC Name1-[propan-2-yl(sulfamoyl)amino]propane
SMILESCCCN(C(C)C)S(N)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-4-5-8(6(2)3)11(7,9)10/h6H,4-5H2,1-3H3,(H2,7,9,10)
InChIKeyTWMFMMHWTZMQJV-UHFFFAOYSA-N
XLogP0.31
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[propan-2-yl(sulfamoyl)amino]propane?
The IUPAC name of 1-[propan-2-yl(sulfamoyl)amino]propane (CID 43269865) is 1-[propan-2-yl(sulfamoyl)amino]propane.
What is the SMILES notation for 1-[propan-2-yl(sulfamoyl)amino]propane?
The canonical SMILES for 1-[propan-2-yl(sulfamoyl)amino]propane is CCCN(C(C)C)S(N)(=O)=O.
What is the InChIKey of 1-[propan-2-yl(sulfamoyl)amino]propane?
The InChIKey is TWMFMMHWTZMQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-4-5-8(6(2)3)11(7,9)10/h6H,4-5H2,1-3H3,(H2,7,9,10).
What are the key properties of 1-[propan-2-yl(sulfamoyl)amino]propane?
1-[propan-2-yl(sulfamoyl)amino]propane has a molecular weight of 180.27 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[propan-2-yl(sulfamoyl)amino]propane is sourced from PubChem (CID 43269865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).