1-[(2S,4S,6R)-2-ethyl-4-hydroxy-6-methylpiperidin-1-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)ethanone

C15H24N2O2S2 — CID 142437313

IUPAC1-[(2S,4S,6R)-2-ethyl-4-hydroxy-6-methylpiperidin-1-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)ethanone
SMILESCCSc1nc(CC(=O)N2[C@@H](CC)C[C@@H](O)C[C@H]2C)cs1
InChIInChI=1S/C15H24N2O2S2/c1-4-12-8-13(18)6-10(3)17(12)14(19)7-11-9-21-15(16-11)20-5-2/h9-10,12-13,18H,4-8H2,1-3H3/t10-,12+,13+/m1/s1
InChIKeyRNCMDXKYBZAUNP-WXHSDQCUSA-N
MW328.50 g/mol
LogP2.95
Rot. Bonds5

About 1-[(2S,4S,6R)-2-ethyl-4-hydroxy-6-methylpiperidin-1-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)ethanone

1-[(2S,4S,6R)-2-ethyl-4-hydroxy-6-methylpiperidin-1-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)ethanone (PubChem CID 142437313) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-[(2S,4S,6R)-2-ethyl-4-hydroxy-6-methylpiperidin-1-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[(2S,4S,6R)-2-ethyl-4-hydroxy-6-methylpiperidin-1-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)ethanone
PubChem CID142437313
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name1-[(2S,4S,6R)-2-ethyl-4-hydroxy-6-methylpiperidin-1-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)ethanone
SMILESCCSc1nc(CC(=O)N2[C@@H](CC)C[C@@H](O)C[C@H]2C)cs1
InChIInChI=1S/C15H24N2O2S2/c1-4-12-8-13(18)6-10(3)17(12)14(19)7-11-9-21-15(16-11)20-5-2/h9-10,12-13,18H,4-8H2,1-3H3/t10-,12+,13+/m1/s1
InChIKeyRNCMDXKYBZAUNP-WXHSDQCUSA-N
XLogP2.95
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S,6R)-2-ethyl-4-hydroxy-6-methylpiperidin-1-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[(2S,4S,6R)-2-ethyl-4-hydroxy-6-methylpiperidin-1-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)ethanone (CID 142437313) is 1-[(2S,4S,6R)-2-ethyl-4-hydroxy-6-methylpiperidin-1-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[(2S,4S,6R)-2-ethyl-4-hydroxy-6-methylpiperidin-1-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[(2S,4S,6R)-2-ethyl-4-hydroxy-6-methylpiperidin-1-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)ethanone is CCSc1nc(CC(=O)N2[C@@H](CC)C[C@@H](O)C[C@H]2C)cs1.
What is the InChIKey of 1-[(2S,4S,6R)-2-ethyl-4-hydroxy-6-methylpiperidin-1-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is RNCMDXKYBZAUNP-WXHSDQCUSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-4-12-8-13(18)6-10(3)17(12)14(19)7-11-9-21-15(16-11)20-5-2/h9-10,12-13,18H,4-8H2,1-3H3/t10-,12+,13+/m1/s1.
What are the key properties of 1-[(2S,4S,6R)-2-ethyl-4-hydroxy-6-methylpiperidin-1-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)ethanone?
1-[(2S,4S,6R)-2-ethyl-4-hydroxy-6-methylpiperidin-1-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 328.50 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S,6R)-2-ethyl-4-hydroxy-6-methylpiperidin-1-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 142437313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).