(3-hydroxyazetidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone

C14H19NO2S — CID 71919996

IUPAC(3-hydroxyazetidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone
SMILESO=C(N1CC(O)C1)C1(c2cccs2)CCCCC1
InChIInChI=1S/C14H19NO2S/c16-11-9-15(10-11)13(17)14(6-2-1-3-7-14)12-5-4-8-18-12/h4-5,8,11,16H,1-3,6-7,9-10H2
InChIKeySCTZIKNXWUVHFJ-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.15
Rot. Bonds2

About (3-hydroxyazetidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone

(3-hydroxyazetidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone (PubChem CID 71919996) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is (3-hydroxyazetidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone.

Molecular Properties

Compound Name(3-hydroxyazetidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone
PubChem CID71919996
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name(3-hydroxyazetidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone
SMILESO=C(N1CC(O)C1)C1(c2cccs2)CCCCC1
InChIInChI=1S/C14H19NO2S/c16-11-9-15(10-11)13(17)14(6-2-1-3-7-14)12-5-4-8-18-12/h4-5,8,11,16H,1-3,6-7,9-10H2
InChIKeySCTZIKNXWUVHFJ-UHFFFAOYSA-N
XLogP2.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone?
The IUPAC name of (3-hydroxyazetidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone (CID 71919996) is (3-hydroxyazetidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone.
What is the SMILES notation for (3-hydroxyazetidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone?
The canonical SMILES for (3-hydroxyazetidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone is O=C(N1CC(O)C1)C1(c2cccs2)CCCCC1.
What is the InChIKey of (3-hydroxyazetidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone?
The InChIKey is SCTZIKNXWUVHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-11-9-15(10-11)13(17)14(6-2-1-3-7-14)12-5-4-8-18-12/h4-5,8,11,16H,1-3,6-7,9-10H2.
What are the key properties of (3-hydroxyazetidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone?
(3-hydroxyazetidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone has a molecular weight of 265.38 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyazetidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone is sourced from PubChem (CID 71919996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).