2-(2-ethylsulfonylethoxy)-2-methylbutan-1-amine

C9H21NO3S — CID 65053237

IUPAC2-(2-ethylsulfonylethoxy)-2-methylbutan-1-amine
SMILESCCC(C)(CN)OCCS(=O)(=O)CC
InChIInChI=1S/C9H21NO3S/c1-4-9(3,8-10)13-6-7-14(11,12)5-2/h4-8,10H2,1-3H3
InChIKeyGYBLAGXANPDSKA-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.57
Rot. Bonds7

About 2-(2-ethylsulfonylethoxy)-2-methylbutan-1-amine

2-(2-ethylsulfonylethoxy)-2-methylbutan-1-amine (PubChem CID 65053237) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(2-ethylsulfonylethoxy)-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-(2-ethylsulfonylethoxy)-2-methylbutan-1-amine
PubChem CID65053237
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC Name2-(2-ethylsulfonylethoxy)-2-methylbutan-1-amine
SMILESCCC(C)(CN)OCCS(=O)(=O)CC
InChIInChI=1S/C9H21NO3S/c1-4-9(3,8-10)13-6-7-14(11,12)5-2/h4-8,10H2,1-3H3
InChIKeyGYBLAGXANPDSKA-UHFFFAOYSA-N
XLogP0.57
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylethoxy)-2-methylbutan-1-amine?
The IUPAC name of 2-(2-ethylsulfonylethoxy)-2-methylbutan-1-amine (CID 65053237) is 2-(2-ethylsulfonylethoxy)-2-methylbutan-1-amine.
What is the SMILES notation for 2-(2-ethylsulfonylethoxy)-2-methylbutan-1-amine?
The canonical SMILES for 2-(2-ethylsulfonylethoxy)-2-methylbutan-1-amine is CCC(C)(CN)OCCS(=O)(=O)CC.
What is the InChIKey of 2-(2-ethylsulfonylethoxy)-2-methylbutan-1-amine?
The InChIKey is GYBLAGXANPDSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-4-9(3,8-10)13-6-7-14(11,12)5-2/h4-8,10H2,1-3H3.
What are the key properties of 2-(2-ethylsulfonylethoxy)-2-methylbutan-1-amine?
2-(2-ethylsulfonylethoxy)-2-methylbutan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylethoxy)-2-methylbutan-1-amine is sourced from PubChem (CID 65053237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).