1-(2-tert-butylsulfonylethyl)-3-ethylazetidin-3-amine

C11H24N2O2S — CID 106731517

IUPAC1-(2-tert-butylsulfonylethyl)-3-ethylazetidin-3-amine
SMILESCCC1(N)CN(CCS(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C11H24N2O2S/c1-5-11(12)8-13(9-11)6-7-16(14,15)10(2,3)4/h5-9,12H2,1-4H3
InChIKeyPTSQUYXEZGTKMH-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.62
Rot. Bonds4

About 1-(2-tert-butylsulfonylethyl)-3-ethylazetidin-3-amine

1-(2-tert-butylsulfonylethyl)-3-ethylazetidin-3-amine (PubChem CID 106731517) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(2-tert-butylsulfonylethyl)-3-ethylazetidin-3-amine.

Molecular Properties

Compound Name1-(2-tert-butylsulfonylethyl)-3-ethylazetidin-3-amine
PubChem CID106731517
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name1-(2-tert-butylsulfonylethyl)-3-ethylazetidin-3-amine
SMILESCCC1(N)CN(CCS(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C11H24N2O2S/c1-5-11(12)8-13(9-11)6-7-16(14,15)10(2,3)4/h5-9,12H2,1-4H3
InChIKeyPTSQUYXEZGTKMH-UHFFFAOYSA-N
XLogP0.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methylbutan-2-yl)azetidin-3-yl]propane-2-sulfonamide
CID 130272179
N-[1-(2-methylbutan-2-yl)azetidin-3-yl]ethanesulfonamide
CID 130272394
1-tert-butyl-N-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine
CID 166567486
1-tert-butyl-N-ethyl-N-(2-methylsulfonylethyl)azetidin-3-amine
CID 166567501
2-Methyl-1-(2-methylsulfonylethyl)azetidin-3-amine
CID 170709017
3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine
CID 175979504
2-(1,1-Dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-amine
CID 43581354
3-(aminomethyl)-N,N-dibutyl-1,1-dioxothiolan-3-amine
CID 55159312
N'-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 55160853
2-N-(2-ethylsulfonylethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61479947
1-N-(2-ethylsulfonylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 61659723
2-ethyl-2-N-(2-ethylsulfonylethyl)-2-N-propylbutane-1,2-diamine
CID 62007810

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfonylethyl)-3-ethylazetidin-3-amine?
The IUPAC name of 1-(2-tert-butylsulfonylethyl)-3-ethylazetidin-3-amine (CID 106731517) is 1-(2-tert-butylsulfonylethyl)-3-ethylazetidin-3-amine.
What is the SMILES notation for 1-(2-tert-butylsulfonylethyl)-3-ethylazetidin-3-amine?
The canonical SMILES for 1-(2-tert-butylsulfonylethyl)-3-ethylazetidin-3-amine is CCC1(N)CN(CCS(=O)(=O)C(C)(C)C)C1.
What is the InChIKey of 1-(2-tert-butylsulfonylethyl)-3-ethylazetidin-3-amine?
The InChIKey is PTSQUYXEZGTKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-5-11(12)8-13(9-11)6-7-16(14,15)10(2,3)4/h5-9,12H2,1-4H3.
What are the key properties of 1-(2-tert-butylsulfonylethyl)-3-ethylazetidin-3-amine?
1-(2-tert-butylsulfonylethyl)-3-ethylazetidin-3-amine has a molecular weight of 248.39 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfonylethyl)-3-ethylazetidin-3-amine is sourced from PubChem (CID 106731517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).