1-tert-butyl-N-ethyl-N-(2-methylsulfonylethyl)azetidin-3-amine

C12H26N2O2S — CID 166567501

IUPAC1-tert-butyl-N-ethyl-N-(2-methylsulfonylethyl)azetidin-3-amine
SMILESCCN(CCS(C)(=O)=O)C1CN(C(C)(C)C)C1
InChIInChI=1S/C12H26N2O2S/c1-6-13(7-8-17(5,15)16)11-9-14(10-11)12(2,3)4/h11H,6-10H2,1-5H3
InChIKeyABJHPBIWVSMELE-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.84
Rot. Bonds5

About 1-tert-butyl-N-ethyl-N-(2-methylsulfonylethyl)azetidin-3-amine

1-tert-butyl-N-ethyl-N-(2-methylsulfonylethyl)azetidin-3-amine (PubChem CID 166567501) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-tert-butyl-N-ethyl-N-(2-methylsulfonylethyl)azetidin-3-amine.

Molecular Properties

Compound Name1-tert-butyl-N-ethyl-N-(2-methylsulfonylethyl)azetidin-3-amine
PubChem CID166567501
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name1-tert-butyl-N-ethyl-N-(2-methylsulfonylethyl)azetidin-3-amine
SMILESCCN(CCS(C)(=O)=O)C1CN(C(C)(C)C)C1
InChIInChI=1S/C12H26N2O2S/c1-6-13(7-8-17(5,15)16)11-9-14(10-11)12(2,3)4/h11H,6-10H2,1-5H3
InChIKeyABJHPBIWVSMELE-UHFFFAOYSA-N
XLogP0.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-ethyl-N-(2-methylsulfonylethyl)azetidin-3-amine?
The IUPAC name of 1-tert-butyl-N-ethyl-N-(2-methylsulfonylethyl)azetidin-3-amine (CID 166567501) is 1-tert-butyl-N-ethyl-N-(2-methylsulfonylethyl)azetidin-3-amine.
What is the SMILES notation for 1-tert-butyl-N-ethyl-N-(2-methylsulfonylethyl)azetidin-3-amine?
The canonical SMILES for 1-tert-butyl-N-ethyl-N-(2-methylsulfonylethyl)azetidin-3-amine is CCN(CCS(C)(=O)=O)C1CN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-N-ethyl-N-(2-methylsulfonylethyl)azetidin-3-amine?
The InChIKey is ABJHPBIWVSMELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-6-13(7-8-17(5,15)16)11-9-14(10-11)12(2,3)4/h11H,6-10H2,1-5H3.
What are the key properties of 1-tert-butyl-N-ethyl-N-(2-methylsulfonylethyl)azetidin-3-amine?
1-tert-butyl-N-ethyl-N-(2-methylsulfonylethyl)azetidin-3-amine has a molecular weight of 262.42 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-ethyl-N-(2-methylsulfonylethyl)azetidin-3-amine is sourced from PubChem (CID 166567501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).