N-ethyl-3-methyl-2-methylsulfonylbutan-1-amine

C8H19NO2S — CID 66243826

IUPACN-ethyl-3-methyl-2-methylsulfonylbutan-1-amine
SMILESCCNCC(C(C)C)S(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-5-9-6-8(7(2)3)12(4,10)11/h7-9H,5-6H2,1-4H3
InChIKeyIVEFOTXJGNIXGA-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.67
Rot. Bonds5

About N-ethyl-3-methyl-2-methylsulfonylbutan-1-amine

N-ethyl-3-methyl-2-methylsulfonylbutan-1-amine (PubChem CID 66243826) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is N-ethyl-3-methyl-2-methylsulfonylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-2-methylsulfonylbutan-1-amine
PubChem CID66243826
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC NameN-ethyl-3-methyl-2-methylsulfonylbutan-1-amine
SMILESCCNCC(C(C)C)S(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-5-9-6-8(7(2)3)12(4,10)11/h7-9H,5-6H2,1-4H3
InChIKeyIVEFOTXJGNIXGA-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-2-methylsulfonylbutan-1-amine?
The IUPAC name of N-ethyl-3-methyl-2-methylsulfonylbutan-1-amine (CID 66243826) is N-ethyl-3-methyl-2-methylsulfonylbutan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-2-methylsulfonylbutan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-2-methylsulfonylbutan-1-amine is CCNCC(C(C)C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-3-methyl-2-methylsulfonylbutan-1-amine?
The InChIKey is IVEFOTXJGNIXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-5-9-6-8(7(2)3)12(4,10)11/h7-9H,5-6H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-2-methylsulfonylbutan-1-amine?
N-ethyl-3-methyl-2-methylsulfonylbutan-1-amine has a molecular weight of 193.31 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-2-methylsulfonylbutan-1-amine is sourced from PubChem (CID 66243826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).