1-[tert-butylsulfamoyl(methyl)amino]butane

C9H22N2O2S — CID 60751204

IUPAC1-[tert-butylsulfamoyl(methyl)amino]butane
SMILESCCCCN(C)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H22N2O2S/c1-6-7-8-11(5)14(12,13)10-9(2,3)4/h10H,6-8H2,1-5H3
InChIKeyVTWDLWAAYZRAOH-UHFFFAOYSA-N
MW222.35 g/mol
LogP1.35
Rot. Bonds5

About 1-[tert-butylsulfamoyl(methyl)amino]butane

1-[tert-butylsulfamoyl(methyl)amino]butane (PubChem CID 60751204) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is 1-[tert-butylsulfamoyl(methyl)amino]butane.

Molecular Properties

Compound Name1-[tert-butylsulfamoyl(methyl)amino]butane
PubChem CID60751204
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC Name1-[tert-butylsulfamoyl(methyl)amino]butane
SMILESCCCCN(C)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H22N2O2S/c1-6-7-8-11(5)14(12,13)10-9(2,3)4/h10H,6-8H2,1-5H3
InChIKeyVTWDLWAAYZRAOH-UHFFFAOYSA-N
XLogP1.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butylsulfamoyl(methyl)amino]butane?
The IUPAC name of 1-[tert-butylsulfamoyl(methyl)amino]butane (CID 60751204) is 1-[tert-butylsulfamoyl(methyl)amino]butane.
What is the SMILES notation for 1-[tert-butylsulfamoyl(methyl)amino]butane?
The canonical SMILES for 1-[tert-butylsulfamoyl(methyl)amino]butane is CCCCN(C)S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 1-[tert-butylsulfamoyl(methyl)amino]butane?
The InChIKey is VTWDLWAAYZRAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-6-7-8-11(5)14(12,13)10-9(2,3)4/h10H,6-8H2,1-5H3.
What are the key properties of 1-[tert-butylsulfamoyl(methyl)amino]butane?
1-[tert-butylsulfamoyl(methyl)amino]butane has a molecular weight of 222.35 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butylsulfamoyl(methyl)amino]butane is sourced from PubChem (CID 60751204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).