2-tert-butylsulfonylethyl(diethyl)azanium

C10H24NO2S+ — CID 58785814

IUPAC2-tert-butylsulfonylethyl(diethyl)azanium
SMILESCC[NH+](CC)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-6-11(7-2)8-9-14(12,13)10(3,4)5/h6-9H2,1-5H3/p+1
InChIKeyQAKCZICCHBDHED-UHFFFAOYSA-O
MW222.37 g/mol
LogP0.12
Rot. Bonds5

About 2-tert-butylsulfonylethyl(diethyl)azanium

2-tert-butylsulfonylethyl(diethyl)azanium (PubChem CID 58785814) has the molecular formula C10H24NO2S+ and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-tert-butylsulfonylethyl(diethyl)azanium.

Molecular Properties

Compound Name2-tert-butylsulfonylethyl(diethyl)azanium
PubChem CID58785814
Molecular FormulaC10H24NO2S+
Molecular Weight222.37 g/mol
Exact Mass222.15
IUPAC Name2-tert-butylsulfonylethyl(diethyl)azanium
SMILESCC[NH+](CC)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-6-11(7-2)8-9-14(12,13)10(3,4)5/h6-9H2,1-5H3/p+1
InChIKeyQAKCZICCHBDHED-UHFFFAOYSA-O
XLogP0.12
TPSA38.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfonylethyl(diethyl)azanium?
The IUPAC name of 2-tert-butylsulfonylethyl(diethyl)azanium (CID 58785814) is 2-tert-butylsulfonylethyl(diethyl)azanium.
What is the SMILES notation for 2-tert-butylsulfonylethyl(diethyl)azanium?
The canonical SMILES for 2-tert-butylsulfonylethyl(diethyl)azanium is CC[NH+](CC)CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-tert-butylsulfonylethyl(diethyl)azanium?
The InChIKey is QAKCZICCHBDHED-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H23NO2S/c1-6-11(7-2)8-9-14(12,13)10(3,4)5/h6-9H2,1-5H3/p+1.
What are the key properties of 2-tert-butylsulfonylethyl(diethyl)azanium?
2-tert-butylsulfonylethyl(diethyl)azanium has a molecular weight of 222.37 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfonylethyl(diethyl)azanium is sourced from PubChem (CID 58785814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).