2-[propyl(sulfamoyl)amino]butane

C7H18N2O2S — CID 89386642

IUPAC2-[propyl(sulfamoyl)amino]butane
SMILESCCCN(C(C)CC)S(N)(=O)=O
InChIInChI=1S/C7H18N2O2S/c1-4-6-9(7(3)5-2)12(8,10)11/h7H,4-6H2,1-3H3,(H2,8,10,11)
InChIKeyJDKQLGGIVKLYPB-UHFFFAOYSA-N
MW194.30 g/mol
LogP0.70
Rot. Bonds5

About 2-[propyl(sulfamoyl)amino]butane

2-[propyl(sulfamoyl)amino]butane (PubChem CID 89386642) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-[propyl(sulfamoyl)amino]butane.

Molecular Properties

Compound Name2-[propyl(sulfamoyl)amino]butane
PubChem CID89386642
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC Name2-[propyl(sulfamoyl)amino]butane
SMILESCCCN(C(C)CC)S(N)(=O)=O
InChIInChI=1S/C7H18N2O2S/c1-4-6-9(7(3)5-2)12(8,10)11/h7H,4-6H2,1-3H3,(H2,8,10,11)
InChIKeyJDKQLGGIVKLYPB-UHFFFAOYSA-N
XLogP0.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[propyl(sulfamoyl)amino]butane?
The IUPAC name of 2-[propyl(sulfamoyl)amino]butane (CID 89386642) is 2-[propyl(sulfamoyl)amino]butane.
What is the SMILES notation for 2-[propyl(sulfamoyl)amino]butane?
The canonical SMILES for 2-[propyl(sulfamoyl)amino]butane is CCCN(C(C)CC)S(N)(=O)=O.
What is the InChIKey of 2-[propyl(sulfamoyl)amino]butane?
The InChIKey is JDKQLGGIVKLYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-4-6-9(7(3)5-2)12(8,10)11/h7H,4-6H2,1-3H3,(H2,8,10,11).
What are the key properties of 2-[propyl(sulfamoyl)amino]butane?
2-[propyl(sulfamoyl)amino]butane has a molecular weight of 194.30 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl(sulfamoyl)amino]butane is sourced from PubChem (CID 89386642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).