(4R,5S)-4-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

C21H26N2O5S — CID 102590718

IUPAC(4R,5S)-4-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)[C@@H]2CC[C@]13CS(=O)(=O)N(C(=O)[C@]1(C)NC(=O)O[C@H]1c1ccccc1)[C@@H]3C2
InChIInChI=1S/C21H26N2O5S/c1-19(2)14-9-10-21(19)12-29(26,27)23(15(21)11-14)17(24)20(3)16(28-18(25)22-20)13-7-5-4-6-8-13/h4-8,14-16H,9-12H2,1-3H3,(H,22,25)/t14-,15-,16+,20-,21-/m1/s1
InChIKeyYLUHFNCUZSUWQK-LAUMKVMGSA-N
MW418.52 g/mol
LogP2.59
Rot. Bonds2

About (4R,5S)-4-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

(4R,5S)-4-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 102590718) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is (4R,5S)-4-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID102590718
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name(4R,5S)-4-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)[C@@H]2CC[C@]13CS(=O)(=O)N(C(=O)[C@]1(C)NC(=O)O[C@H]1c1ccccc1)[C@@H]3C2
InChIInChI=1S/C21H26N2O5S/c1-19(2)14-9-10-21(19)12-29(26,27)23(15(21)11-14)17(24)20(3)16(28-18(25)22-20)13-7-5-4-6-8-13/h4-8,14-16H,9-12H2,1-3H3,(H,22,25)/t14-,15-,16+,20-,21-/m1/s1
InChIKeyYLUHFNCUZSUWQK-LAUMKVMGSA-N
XLogP2.59
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R,5S)-4-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-4-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 102590718) is (4R,5S)-4-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-4-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-4-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is CC1(C)[C@@H]2CC[C@]13CS(=O)(=O)N(C(=O)[C@]1(C)NC(=O)O[C@H]1c1ccccc1)[C@@H]3C2.
What is the InChIKey of (4R,5S)-4-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is YLUHFNCUZSUWQK-LAUMKVMGSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-19(2)14-9-10-21(19)12-29(26,27)23(15(21)11-14)17(24)20(3)16(28-18(25)22-20)13-7-5-4-6-8-13/h4-8,14-16H,9-12H2,1-3H3,(H,22,25)/t14-,15-,16+,20-,21-/m1/s1.
What are the key properties of (4R,5S)-4-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
(4R,5S)-4-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 418.52 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 102590718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).