3-methyl-N-(methylsulfamoyl)-2-propan-2-ylbutan-1-amine

C9H22N2O2S — CID 102912908

IUPAC3-methyl-N-(methylsulfamoyl)-2-propan-2-ylbutan-1-amine
SMILESCNS(=O)(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C9H22N2O2S/c1-7(2)9(8(3)4)6-11-14(12,13)10-5/h7-11H,6H2,1-5H3
InChIKeyZKGQWNYQFRRGTB-UHFFFAOYSA-N
MW222.35 g/mol
LogP0.97
Rot. Bonds6

About 3-methyl-N-(methylsulfamoyl)-2-propan-2-ylbutan-1-amine

3-methyl-N-(methylsulfamoyl)-2-propan-2-ylbutan-1-amine (PubChem CID 102912908) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is 3-methyl-N-(methylsulfamoyl)-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(methylsulfamoyl)-2-propan-2-ylbutan-1-amine
PubChem CID102912908
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC Name3-methyl-N-(methylsulfamoyl)-2-propan-2-ylbutan-1-amine
SMILESCNS(=O)(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C9H22N2O2S/c1-7(2)9(8(3)4)6-11-14(12,13)10-5/h7-11H,6H2,1-5H3
InChIKeyZKGQWNYQFRRGTB-UHFFFAOYSA-N
XLogP0.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(methylsulfamoyl)-2-propan-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-N-(methylsulfamoyl)-2-propan-2-ylbutan-1-amine (CID 102912908) is 3-methyl-N-(methylsulfamoyl)-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-(methylsulfamoyl)-2-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-N-(methylsulfamoyl)-2-propan-2-ylbutan-1-amine is CNS(=O)(=O)NCC(C(C)C)C(C)C.
What is the InChIKey of 3-methyl-N-(methylsulfamoyl)-2-propan-2-ylbutan-1-amine?
The InChIKey is ZKGQWNYQFRRGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-7(2)9(8(3)4)6-11-14(12,13)10-5/h7-11H,6H2,1-5H3.
What are the key properties of 3-methyl-N-(methylsulfamoyl)-2-propan-2-ylbutan-1-amine?
3-methyl-N-(methylsulfamoyl)-2-propan-2-ylbutan-1-amine has a molecular weight of 222.35 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(methylsulfamoyl)-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102912908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).