3-methyl-1-[propyl(sulfamoyl)amino]butane

C8H20N2O2S — CID 164758039

IUPAC3-methyl-1-[propyl(sulfamoyl)amino]butane
SMILESCCCN(CCC(C)C)S(N)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-4-6-10(13(9,11)12)7-5-8(2)3/h8H,4-7H2,1-3H3,(H2,9,11,12)
InChIKeyUKWYWOPEXDCJPY-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.95
Rot. Bonds6

About 3-methyl-1-[propyl(sulfamoyl)amino]butane

3-methyl-1-[propyl(sulfamoyl)amino]butane (PubChem CID 164758039) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 3-methyl-1-[propyl(sulfamoyl)amino]butane.

Molecular Properties

Compound Name3-methyl-1-[propyl(sulfamoyl)amino]butane
PubChem CID164758039
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC Name3-methyl-1-[propyl(sulfamoyl)amino]butane
SMILESCCCN(CCC(C)C)S(N)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-4-6-10(13(9,11)12)7-5-8(2)3/h8H,4-7H2,1-3H3,(H2,9,11,12)
InChIKeyUKWYWOPEXDCJPY-UHFFFAOYSA-N
XLogP0.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[propyl(sulfamoyl)amino]butane?
The IUPAC name of 3-methyl-1-[propyl(sulfamoyl)amino]butane (CID 164758039) is 3-methyl-1-[propyl(sulfamoyl)amino]butane.
What is the SMILES notation for 3-methyl-1-[propyl(sulfamoyl)amino]butane?
The canonical SMILES for 3-methyl-1-[propyl(sulfamoyl)amino]butane is CCCN(CCC(C)C)S(N)(=O)=O.
What is the InChIKey of 3-methyl-1-[propyl(sulfamoyl)amino]butane?
The InChIKey is UKWYWOPEXDCJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-4-6-10(13(9,11)12)7-5-8(2)3/h8H,4-7H2,1-3H3,(H2,9,11,12).
What are the key properties of 3-methyl-1-[propyl(sulfamoyl)amino]butane?
3-methyl-1-[propyl(sulfamoyl)amino]butane has a molecular weight of 208.33 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[propyl(sulfamoyl)amino]butane is sourced from PubChem (CID 164758039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).