1-(2-ethylsulfonylethyl)azetidin-3-amine

C7H16N2O2S — CID 63760901

IUPAC1-(2-ethylsulfonylethyl)azetidin-3-amine
SMILESCCS(=O)(=O)CCN1CC(N)C1
InChIInChI=1S/C7H16N2O2S/c1-2-12(10,11)4-3-9-5-7(8)6-9/h7H,2-6,8H2,1H3
InChIKeyIELNPVDLXHXZIA-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.94
Rot. Bonds4

About 1-(2-ethylsulfonylethyl)azetidin-3-amine

1-(2-ethylsulfonylethyl)azetidin-3-amine (PubChem CID 63760901) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(2-ethylsulfonylethyl)azetidin-3-amine
PubChem CID63760901
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name1-(2-ethylsulfonylethyl)azetidin-3-amine
SMILESCCS(=O)(=O)CCN1CC(N)C1
InChIInChI=1S/C7H16N2O2S/c1-2-12(10,11)4-3-9-5-7(8)6-9/h7H,2-6,8H2,1H3
InChIKeyIELNPVDLXHXZIA-UHFFFAOYSA-N
XLogP-0.94
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethyl)azetidin-3-amine?
The IUPAC name of 1-(2-ethylsulfonylethyl)azetidin-3-amine (CID 63760901) is 1-(2-ethylsulfonylethyl)azetidin-3-amine.
What is the SMILES notation for 1-(2-ethylsulfonylethyl)azetidin-3-amine?
The canonical SMILES for 1-(2-ethylsulfonylethyl)azetidin-3-amine is CCS(=O)(=O)CCN1CC(N)C1.
What is the InChIKey of 1-(2-ethylsulfonylethyl)azetidin-3-amine?
The InChIKey is IELNPVDLXHXZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-2-12(10,11)4-3-9-5-7(8)6-9/h7H,2-6,8H2,1H3.
What are the key properties of 1-(2-ethylsulfonylethyl)azetidin-3-amine?
1-(2-ethylsulfonylethyl)azetidin-3-amine has a molecular weight of 192.28 g/mol, XLogP of -0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethyl)azetidin-3-amine is sourced from PubChem (CID 63760901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).