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

C15H22N2O2S — CID 110197172

IUPAC[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-thiophen-3-ylmethanone
SMILESCCN(C1CCOCC1)C1CN(C(=O)c2ccsc2)C1
InChIInChI=1S/C15H22N2O2S/c1-2-17(13-3-6-19-7-4-13)14-9-16(10-14)15(18)12-5-8-20-11-12/h5,8,11,13-14H,2-4,6-7,9-10H2,1H3
InChIKeyVOFMFXDCCLAHRM-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.07
Rot. Bonds4

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

[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 110197172) 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-3-ylmethanone.

Molecular Properties

Compound Name[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-thiophen-3-ylmethanone
PubChem CID110197172
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-thiophen-3-ylmethanone
SMILESCCN(C1CCOCC1)C1CN(C(=O)c2ccsc2)C1
InChIInChI=1S/C15H22N2O2S/c1-2-17(13-3-6-19-7-4-13)14-9-16(10-14)15(18)12-5-8-20-11-12/h5,8,11,13-14H,2-4,6-7,9-10H2,1H3
InChIKeyVOFMFXDCCLAHRM-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-3-ylmethanone?
The IUPAC name of [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-thiophen-3-ylmethanone (CID 110197172) is [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-thiophen-3-ylmethanone is CCN(C1CCOCC1)C1CN(C(=O)c2ccsc2)C1.
What is the InChIKey of [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is VOFMFXDCCLAHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-2-17(13-3-6-19-7-4-13)14-9-16(10-14)15(18)12-5-8-20-11-12/h5,8,11,13-14H,2-4,6-7,9-10H2,1H3.
What are the key properties of [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-thiophen-3-ylmethanone?
[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-thiophen-3-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-3-ylmethanone is sourced from PubChem (CID 110197172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).