(4S,5R)-4-methyl-5-phenyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one

C19H22N2O4S2 — CID 74224276

IUPAC(4S,5R)-4-methyl-5-phenyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=O)N1C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H22N2O4S2/c1-14-18(15-6-3-2-4-7-15)25-19(22)21(14)16-9-11-20(12-10-16)27(23,24)17-8-5-13-26-17/h2-8,13-14,16,18H,9-12H2,1H3/t14-,18-/m0/s1
InChIKeyYQSYMOHGFCKGHT-KSSFIOAISA-N
MW406.53 g/mol
LogP3.48
Rot. Bonds4

About (4S,5R)-4-methyl-5-phenyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one

(4S,5R)-4-methyl-5-phenyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one (PubChem CID 74224276) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is (4S,5R)-4-methyl-5-phenyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-methyl-5-phenyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one
PubChem CID74224276
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC Name(4S,5R)-4-methyl-5-phenyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=O)N1C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H22N2O4S2/c1-14-18(15-6-3-2-4-7-15)25-19(22)21(14)16-9-11-20(12-10-16)27(23,24)17-8-5-13-26-17/h2-8,13-14,16,18H,9-12H2,1H3/t14-,18-/m0/s1
InChIKeyYQSYMOHGFCKGHT-KSSFIOAISA-N
XLogP3.48
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-methyl-5-phenyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-methyl-5-phenyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one (CID 74224276) is (4S,5R)-4-methyl-5-phenyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-methyl-5-phenyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-methyl-5-phenyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one is C[C@H]1[C@@H](c2ccccc2)OC(=O)N1C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of (4S,5R)-4-methyl-5-phenyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one?
The InChIKey is YQSYMOHGFCKGHT-KSSFIOAISA-N. The full InChI is InChI=1S/C19H22N2O4S2/c1-14-18(15-6-3-2-4-7-15)25-19(22)21(14)16-9-11-20(12-10-16)27(23,24)17-8-5-13-26-17/h2-8,13-14,16,18H,9-12H2,1H3/t14-,18-/m0/s1.
What are the key properties of (4S,5R)-4-methyl-5-phenyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one?
(4S,5R)-4-methyl-5-phenyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one has a molecular weight of 406.53 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-methyl-5-phenyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 74224276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).