[(5S)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-[(3S,5S)-2-methyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]methanone

C20H27N3O4S — CID 101356222

IUPAC[(5S)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-[(3S,5S)-2-methyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]methanone
SMILESCN1O[C@H](C(=O)N2[C@H]3CC4CCC3(CS2(=O)=O)C4(C)C)C[C@H]1c1cccnc1
InChIInChI=1S/C20H27N3O4S/c1-19(2)14-6-7-20(19)12-28(25,26)23(17(20)9-14)18(24)16-10-15(22(3)27-16)13-5-4-8-21-11-13/h4-5,8,11,14-17H,6-7,9-10,12H2,1-3H3/t14?,15-,16-,17-,20?/m0/s1
InChIKeyWAVZZZKFITURQJ-YTIFWKSRSA-N
MW405.52 g/mol
LogP2.13
Rot. Bonds2

About [(5S)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-[(3S,5S)-2-methyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]methanone

[(5S)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-[(3S,5S)-2-methyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]methanone (PubChem CID 101356222) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is [(5S)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-[(3S,5S)-2-methyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]methanone.

Molecular Properties

Compound Name[(5S)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-[(3S,5S)-2-methyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]methanone
PubChem CID101356222
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Name[(5S)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-[(3S,5S)-2-methyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]methanone
SMILESCN1O[C@H](C(=O)N2[C@H]3CC4CCC3(CS2(=O)=O)C4(C)C)C[C@H]1c1cccnc1
InChIInChI=1S/C20H27N3O4S/c1-19(2)14-6-7-20(19)12-28(25,26)23(17(20)9-14)18(24)16-10-15(22(3)27-16)13-5-4-8-21-11-13/h4-5,8,11,14-17H,6-7,9-10,12H2,1-3H3/t14?,15-,16-,17-,20?/m0/s1
InChIKeyWAVZZZKFITURQJ-YTIFWKSRSA-N
XLogP2.13
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(5S)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-[(3S,5S)-2-methyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(5S)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-[(3S,5S)-2-methyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]methanone?
The IUPAC name of [(5S)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-[(3S,5S)-2-methyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]methanone (CID 101356222) is [(5S)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-[(3S,5S)-2-methyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]methanone.
What is the SMILES notation for [(5S)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-[(3S,5S)-2-methyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]methanone?
The canonical SMILES for [(5S)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-[(3S,5S)-2-methyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]methanone is CN1O[C@H](C(=O)N2[C@H]3CC4CCC3(CS2(=O)=O)C4(C)C)C[C@H]1c1cccnc1.
What is the InChIKey of [(5S)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-[(3S,5S)-2-methyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]methanone?
The InChIKey is WAVZZZKFITURQJ-YTIFWKSRSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-19(2)14-6-7-20(19)12-28(25,26)23(17(20)9-14)18(24)16-10-15(22(3)27-16)13-5-4-8-21-11-13/h4-5,8,11,14-17H,6-7,9-10,12H2,1-3H3/t14?,15-,16-,17-,20?/m0/s1.
What are the key properties of [(5S)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-[(3S,5S)-2-methyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]methanone?
[(5S)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-[(3S,5S)-2-methyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]methanone has a molecular weight of 405.52 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-[(3S,5S)-2-methyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]methanone is sourced from PubChem (CID 101356222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).