5-(4-ethylpiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one

C11H18N2O3S2 — CID 54883853

IUPAC5-(4-ethylpiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one
SMILESCCC1CCN(S(=O)(=O)c2sc(=O)[nH]c2C)CC1
InChIInChI=1S/C11H18N2O3S2/c1-3-9-4-6-13(7-5-9)18(15,16)10-8(2)12-11(14)17-10/h9H,3-7H2,1-2H3,(H,12,14)
InChIKeyKEVDSTQGSOLRDR-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.56
Rot. Bonds3

About 5-(4-ethylpiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one

5-(4-ethylpiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one (PubChem CID 54883853) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-(4-ethylpiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-(4-ethylpiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one
PubChem CID54883853
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC Name5-(4-ethylpiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one
SMILESCCC1CCN(S(=O)(=O)c2sc(=O)[nH]c2C)CC1
InChIInChI=1S/C11H18N2O3S2/c1-3-9-4-6-13(7-5-9)18(15,16)10-8(2)12-11(14)17-10/h9H,3-7H2,1-2H3,(H,12,14)
InChIKeyKEVDSTQGSOLRDR-UHFFFAOYSA-N
XLogP1.56
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one?
The IUPAC name of 5-(4-ethylpiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one (CID 54883853) is 5-(4-ethylpiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-(4-ethylpiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-(4-ethylpiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one is CCC1CCN(S(=O)(=O)c2sc(=O)[nH]c2C)CC1.
What is the InChIKey of 5-(4-ethylpiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one?
The InChIKey is KEVDSTQGSOLRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-3-9-4-6-13(7-5-9)18(15,16)10-8(2)12-11(14)17-10/h9H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 5-(4-ethylpiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one?
5-(4-ethylpiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one has a molecular weight of 290.41 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 54883853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).