2-[(2S)-1-[(2R)-2-methoxypropyl]sulfonylpiperidin-2-yl]-1,3-thiazole

C12H20N2O3S2 — CID 124743874

IUPAC2-[(2S)-1-[(2R)-2-methoxypropyl]sulfonylpiperidin-2-yl]-1,3-thiazole
SMILESCO[C@H](C)CS(=O)(=O)N1CCCC[C@H]1c1nccs1
InChIInChI=1S/C12H20N2O3S2/c1-10(17-2)9-19(15,16)14-7-4-3-5-11(14)12-13-6-8-18-12/h6,8,10-11H,3-5,7,9H2,1-2H3/t10-,11+/m1/s1
InChIKeyZGATUJAQOSNJNR-MNOVXSKESA-N
MW304.44 g/mol
LogP2.03
Rot. Bonds5

About 2-[(2S)-1-[(2R)-2-methoxypropyl]sulfonylpiperidin-2-yl]-1,3-thiazole

2-[(2S)-1-[(2R)-2-methoxypropyl]sulfonylpiperidin-2-yl]-1,3-thiazole (PubChem CID 124743874) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[(2S)-1-[(2R)-2-methoxypropyl]sulfonylpiperidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2S)-1-[(2R)-2-methoxypropyl]sulfonylpiperidin-2-yl]-1,3-thiazole
PubChem CID124743874
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name2-[(2S)-1-[(2R)-2-methoxypropyl]sulfonylpiperidin-2-yl]-1,3-thiazole
SMILESCO[C@H](C)CS(=O)(=O)N1CCCC[C@H]1c1nccs1
InChIInChI=1S/C12H20N2O3S2/c1-10(17-2)9-19(15,16)14-7-4-3-5-11(14)12-13-6-8-18-12/h6,8,10-11H,3-5,7,9H2,1-2H3/t10-,11+/m1/s1
InChIKeyZGATUJAQOSNJNR-MNOVXSKESA-N
XLogP2.03
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(2R)-2-methoxypropyl]sulfonylpiperidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[(2S)-1-[(2R)-2-methoxypropyl]sulfonylpiperidin-2-yl]-1,3-thiazole (CID 124743874) is 2-[(2S)-1-[(2R)-2-methoxypropyl]sulfonylpiperidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(2S)-1-[(2R)-2-methoxypropyl]sulfonylpiperidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[(2S)-1-[(2R)-2-methoxypropyl]sulfonylpiperidin-2-yl]-1,3-thiazole is CO[C@H](C)CS(=O)(=O)N1CCCC[C@H]1c1nccs1.
What is the InChIKey of 2-[(2S)-1-[(2R)-2-methoxypropyl]sulfonylpiperidin-2-yl]-1,3-thiazole?
The InChIKey is ZGATUJAQOSNJNR-MNOVXSKESA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-10(17-2)9-19(15,16)14-7-4-3-5-11(14)12-13-6-8-18-12/h6,8,10-11H,3-5,7,9H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of 2-[(2S)-1-[(2R)-2-methoxypropyl]sulfonylpiperidin-2-yl]-1,3-thiazole?
2-[(2S)-1-[(2R)-2-methoxypropyl]sulfonylpiperidin-2-yl]-1,3-thiazole has a molecular weight of 304.44 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(2R)-2-methoxypropyl]sulfonylpiperidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 124743874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).