1-[ethyl(sulfamoyl)amino]butane

C6H16N2O2S — CID 43132040

IUPAC1-[ethyl(sulfamoyl)amino]butane
SMILESCCCCN(CC)S(N)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-3-5-6-8(4-2)11(7,9)10/h3-6H2,1-2H3,(H2,7,9,10)
InChIKeyYFFFBEJOCCOPFQ-UHFFFAOYSA-N
MW180.27 g/mol
LogP0.31
Rot. Bonds5

About 1-[ethyl(sulfamoyl)amino]butane

1-[ethyl(sulfamoyl)amino]butane (PubChem CID 43132040) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is 1-[ethyl(sulfamoyl)amino]butane.

Molecular Properties

Compound Name1-[ethyl(sulfamoyl)amino]butane
PubChem CID43132040
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC Name1-[ethyl(sulfamoyl)amino]butane
SMILESCCCCN(CC)S(N)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-3-5-6-8(4-2)11(7,9)10/h3-6H2,1-2H3,(H2,7,9,10)
InChIKeyYFFFBEJOCCOPFQ-UHFFFAOYSA-N
XLogP0.31
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-[ethyl(sulfamoyl)amino]butane?
The IUPAC name of 1-[ethyl(sulfamoyl)amino]butane (CID 43132040) is 1-[ethyl(sulfamoyl)amino]butane.
What is the SMILES notation for 1-[ethyl(sulfamoyl)amino]butane?
The canonical SMILES for 1-[ethyl(sulfamoyl)amino]butane is CCCCN(CC)S(N)(=O)=O.
What is the InChIKey of 1-[ethyl(sulfamoyl)amino]butane?
The InChIKey is YFFFBEJOCCOPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-3-5-6-8(4-2)11(7,9)10/h3-6H2,1-2H3,(H2,7,9,10).
What are the key properties of 1-[ethyl(sulfamoyl)amino]butane?
1-[ethyl(sulfamoyl)amino]butane has a molecular weight of 180.27 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(sulfamoyl)amino]butane is sourced from PubChem (CID 43132040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).