[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-thiophen-2-ylmethanone

C15H22N2O2S — CID 110197168

IUPAC[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-thiophen-2-ylmethanone
SMILESCCN(C1CCOCC1)C1CN(C(=O)c2cccs2)C1
InChIInChI=1S/C15H22N2O2S/c1-2-17(12-5-7-19-8-6-12)13-10-16(11-13)15(18)14-4-3-9-20-14/h3-4,9,12-13H,2,5-8,10-11H2,1H3
InChIKeyXELSITYSUAZJGV-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.07
Rot. Bonds4

About [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-thiophen-2-ylmethanone

[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 110197168) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-thiophen-2-ylmethanone
PubChem CID110197168
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-thiophen-2-ylmethanone
SMILESCCN(C1CCOCC1)C1CN(C(=O)c2cccs2)C1
InChIInChI=1S/C15H22N2O2S/c1-2-17(12-5-7-19-8-6-12)13-10-16(11-13)15(18)14-4-3-9-20-14/h3-4,9,12-13H,2,5-8,10-11H2,1H3
InChIKeyXELSITYSUAZJGV-UHFFFAOYSA-N
XLogP2.07
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-thiophen-2-ylmethanone (CID 110197168) is [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-thiophen-2-ylmethanone is CCN(C1CCOCC1)C1CN(C(=O)c2cccs2)C1.
What is the InChIKey of [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is XELSITYSUAZJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-2-17(12-5-7-19-8-6-12)13-10-16(11-13)15(18)14-4-3-9-20-14/h3-4,9,12-13H,2,5-8,10-11H2,1H3.
What are the key properties of [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-thiophen-2-ylmethanone?
[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 294.42 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 110197168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).