1-[butyl(methylsulfamoyl)amino]pentane

C10H24N2O2S — CID 166858703

IUPAC1-[butyl(methylsulfamoyl)amino]pentane
SMILESCCCCCN(CCCC)S(=O)(=O)NC
InChIInChI=1S/C10H24N2O2S/c1-4-6-8-10-12(9-7-5-2)15(13,14)11-3/h11H,4-10H2,1-3H3
InChIKeyYNCZETXAJWEWFI-UHFFFAOYSA-N
MW236.38 g/mol
LogP1.74
Rot. Bonds9

About 1-[butyl(methylsulfamoyl)amino]pentane

1-[butyl(methylsulfamoyl)amino]pentane (PubChem CID 166858703) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-[butyl(methylsulfamoyl)amino]pentane.

Molecular Properties

Compound Name1-[butyl(methylsulfamoyl)amino]pentane
PubChem CID166858703
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC Name1-[butyl(methylsulfamoyl)amino]pentane
SMILESCCCCCN(CCCC)S(=O)(=O)NC
InChIInChI=1S/C10H24N2O2S/c1-4-6-8-10-12(9-7-5-2)15(13,14)11-3/h11H,4-10H2,1-3H3
InChIKeyYNCZETXAJWEWFI-UHFFFAOYSA-N
XLogP1.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[butyl(methylsulfamoyl)amino]pentane?
The IUPAC name of 1-[butyl(methylsulfamoyl)amino]pentane (CID 166858703) is 1-[butyl(methylsulfamoyl)amino]pentane.
What is the SMILES notation for 1-[butyl(methylsulfamoyl)amino]pentane?
The canonical SMILES for 1-[butyl(methylsulfamoyl)amino]pentane is CCCCCN(CCCC)S(=O)(=O)NC.
What is the InChIKey of 1-[butyl(methylsulfamoyl)amino]pentane?
The InChIKey is YNCZETXAJWEWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-4-6-8-10-12(9-7-5-2)15(13,14)11-3/h11H,4-10H2,1-3H3.
What are the key properties of 1-[butyl(methylsulfamoyl)amino]pentane?
1-[butyl(methylsulfamoyl)amino]pentane has a molecular weight of 236.38 g/mol, XLogP of 1.74, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(methylsulfamoyl)amino]pentane is sourced from PubChem (CID 166858703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).