2-methyl-N-(2-methylsulfonylethyl)butan-2-amine

C8H19NO2S — CID 60915670

IUPAC2-methyl-N-(2-methylsulfonylethyl)butan-2-amine
SMILESCCC(C)(C)NCCS(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-5-8(2,3)9-6-7-12(4,10)11/h9H,5-7H2,1-4H3
InChIKeyIQBFAELGQHVBIR-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.81
Rot. Bonds5

About 2-methyl-N-(2-methylsulfonylethyl)butan-2-amine

2-methyl-N-(2-methylsulfonylethyl)butan-2-amine (PubChem CID 60915670) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 2-methyl-N-(2-methylsulfonylethyl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylsulfonylethyl)butan-2-amine
PubChem CID60915670
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name2-methyl-N-(2-methylsulfonylethyl)butan-2-amine
SMILESCCC(C)(C)NCCS(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-5-8(2,3)9-6-7-12(4,10)11/h9H,5-7H2,1-4H3
InChIKeyIQBFAELGQHVBIR-UHFFFAOYSA-N
XLogP0.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylsulfonylethyl)butan-2-amine?
The IUPAC name of 2-methyl-N-(2-methylsulfonylethyl)butan-2-amine (CID 60915670) is 2-methyl-N-(2-methylsulfonylethyl)butan-2-amine.
What is the SMILES notation for 2-methyl-N-(2-methylsulfonylethyl)butan-2-amine?
The canonical SMILES for 2-methyl-N-(2-methylsulfonylethyl)butan-2-amine is CCC(C)(C)NCCS(C)(=O)=O.
What is the InChIKey of 2-methyl-N-(2-methylsulfonylethyl)butan-2-amine?
The InChIKey is IQBFAELGQHVBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-5-8(2,3)9-6-7-12(4,10)11/h9H,5-7H2,1-4H3.
What are the key properties of 2-methyl-N-(2-methylsulfonylethyl)butan-2-amine?
2-methyl-N-(2-methylsulfonylethyl)butan-2-amine has a molecular weight of 193.31 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylsulfonylethyl)butan-2-amine is sourced from PubChem (CID 60915670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).