(1,1-dioxo-1,2-thiazolidin-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone

C12H21FN2O4S — CID 135291689

IUPAC(1,1-dioxo-1,2-thiazolidin-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
SMILESCC(C)O[C@H]1CCN(C(=O)C2CCS(=O)(=O)N2)C[C@H]1F
InChIInChI=1S/C12H21FN2O4S/c1-8(2)19-11-3-5-15(7-9(11)13)12(16)10-4-6-20(17,18)14-10/h8-11,14H,3-7H2,1-2H3/t9-,10?,11+/m1/s1
InChIKeyLZUXHSBDMHSRPW-FBKFWFMHSA-N
MW308.38 g/mol
LogP0.04
Rot. Bonds3

About (1,1-dioxo-1,2-thiazolidin-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone

(1,1-dioxo-1,2-thiazolidin-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone (PubChem CID 135291689) has the molecular formula C12H21FN2O4S and a molecular weight of 308.38 g/mol. Its IUPAC name is (1,1-dioxo-1,2-thiazolidin-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,2-thiazolidin-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
PubChem CID135291689
Molecular FormulaC12H21FN2O4S
Molecular Weight308.38 g/mol
Exact Mass308.12
IUPAC Name(1,1-dioxo-1,2-thiazolidin-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
SMILESCC(C)O[C@H]1CCN(C(=O)C2CCS(=O)(=O)N2)C[C@H]1F
InChIInChI=1S/C12H21FN2O4S/c1-8(2)19-11-3-5-15(7-9(11)13)12(16)10-4-6-20(17,18)14-10/h8-11,14H,3-7H2,1-2H3/t9-,10?,11+/m1/s1
InChIKeyLZUXHSBDMHSRPW-FBKFWFMHSA-N
XLogP0.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,2-thiazolidin-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
The IUPAC name of (1,1-dioxo-1,2-thiazolidin-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone (CID 135291689) is (1,1-dioxo-1,2-thiazolidin-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone.
What is the SMILES notation for (1,1-dioxo-1,2-thiazolidin-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
The canonical SMILES for (1,1-dioxo-1,2-thiazolidin-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone is CC(C)O[C@H]1CCN(C(=O)C2CCS(=O)(=O)N2)C[C@H]1F.
What is the InChIKey of (1,1-dioxo-1,2-thiazolidin-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
The InChIKey is LZUXHSBDMHSRPW-FBKFWFMHSA-N. The full InChI is InChI=1S/C12H21FN2O4S/c1-8(2)19-11-3-5-15(7-9(11)13)12(16)10-4-6-20(17,18)14-10/h8-11,14H,3-7H2,1-2H3/t9-,10?,11+/m1/s1.
What are the key properties of (1,1-dioxo-1,2-thiazolidin-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
(1,1-dioxo-1,2-thiazolidin-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone has a molecular weight of 308.38 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,2-thiazolidin-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone is sourced from PubChem (CID 135291689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).