3-[methyl(sulfamoyl)amino]pentane

C6H16N2O2S — CID 43429125

IUPAC3-[methyl(sulfamoyl)amino]pentane
SMILESCCC(CC)N(C)S(N)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-4-6(5-2)8(3)11(7,9)10/h6H,4-5H2,1-3H3,(H2,7,9,10)
InChIKeyCOIQXXWUDKKHTA-UHFFFAOYSA-N
MW180.27 g/mol
LogP0.31
Rot. Bonds4

About 3-[methyl(sulfamoyl)amino]pentane

3-[methyl(sulfamoyl)amino]pentane (PubChem CID 43429125) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is 3-[methyl(sulfamoyl)amino]pentane.

Molecular Properties

Compound Name3-[methyl(sulfamoyl)amino]pentane
PubChem CID43429125
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC Name3-[methyl(sulfamoyl)amino]pentane
SMILESCCC(CC)N(C)S(N)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-4-6(5-2)8(3)11(7,9)10/h6H,4-5H2,1-3H3,(H2,7,9,10)
InChIKeyCOIQXXWUDKKHTA-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 3-[methyl(sulfamoyl)amino]pentane?
The IUPAC name of 3-[methyl(sulfamoyl)amino]pentane (CID 43429125) is 3-[methyl(sulfamoyl)amino]pentane.
What is the SMILES notation for 3-[methyl(sulfamoyl)amino]pentane?
The canonical SMILES for 3-[methyl(sulfamoyl)amino]pentane is CCC(CC)N(C)S(N)(=O)=O.
What is the InChIKey of 3-[methyl(sulfamoyl)amino]pentane?
The InChIKey is COIQXXWUDKKHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-4-6(5-2)8(3)11(7,9)10/h6H,4-5H2,1-3H3,(H2,7,9,10).
What are the key properties of 3-[methyl(sulfamoyl)amino]pentane?
3-[methyl(sulfamoyl)amino]pentane 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 3-[methyl(sulfamoyl)amino]pentane is sourced from PubChem (CID 43429125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).