5-[(1R,8R,10R)-3-fluoro-5-hydroxy-10-(3-methylbutylamino)-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

C18H24FN3O4S — CID 169122678

IUPAC5-[(1R,8R,10R)-3-fluoro-5-hydroxy-10-(3-methylbutylamino)-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCC(C)CCN[C@@H]1C[C@H]2C[C@@H]1c1c2cc(O)c(N2CC(=O)NS2(=O)=O)c1F
InChIInChI=1S/C18H24FN3O4S/c1-9(2)3-4-20-13-6-10-5-12(13)16-11(10)7-14(23)18(17(16)19)22-8-15(24)21-27(22,25)26/h7,9-10,12-13,20,23H,3-6,8H2,1-2H3,(H,21,24)/t10-,12+,13-/m1/s1
InChIKeyZWBQTXKXKXGAGT-KGYLQXTDSA-N
MW397.47 g/mol
LogP1.69
Rot. Bonds5

About 5-[(1R,8R,10R)-3-fluoro-5-hydroxy-10-(3-methylbutylamino)-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

5-[(1R,8R,10R)-3-fluoro-5-hydroxy-10-(3-methylbutylamino)-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 169122678) has the molecular formula C18H24FN3O4S and a molecular weight of 397.47 g/mol. Its IUPAC name is 5-[(1R,8R,10R)-3-fluoro-5-hydroxy-10-(3-methylbutylamino)-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[(1R,8R,10R)-3-fluoro-5-hydroxy-10-(3-methylbutylamino)-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID169122678
Molecular FormulaC18H24FN3O4S
Molecular Weight397.47 g/mol
Exact Mass397.15
IUPAC Name5-[(1R,8R,10R)-3-fluoro-5-hydroxy-10-(3-methylbutylamino)-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCC(C)CCN[C@@H]1C[C@H]2C[C@@H]1c1c2cc(O)c(N2CC(=O)NS2(=O)=O)c1F
InChIInChI=1S/C18H24FN3O4S/c1-9(2)3-4-20-13-6-10-5-12(13)16-11(10)7-14(23)18(17(16)19)22-8-15(24)21-27(22,25)26/h7,9-10,12-13,20,23H,3-6,8H2,1-2H3,(H,21,24)/t10-,12+,13-/m1/s1
InChIKeyZWBQTXKXKXGAGT-KGYLQXTDSA-N
XLogP1.69
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[(1R,8R,10R)-3-fluoro-5-hydroxy-10-(3-methylbutylamino)-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one with MolForge

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Launch Full Analysis

Related Compounds

5-[7-(2-Cyclopropylethylamino)-1-fluoro-3-hydroxynaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 155103195
Abbv-cls-484
CID 155103607
1,2,5-Thiadiazolidin-3-one, 5-[4-(cyclohexylmethyl)-2-fluoro-6-hydroxyphenyl]-, 1,1-dioxide
CID 24856341
5-[7-(Cyclopropylmethylamino)-1-fluoro-3-hydroxynaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 155103340
5-[4-[[[(1S)-3,3-dimethylcyclohexyl]amino]methyl]-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 169119843
US20250129032, Example 30
CID 169128159
Ptpn2/1-IN-3
CID 171391820
5-(6-Fluoro-8-hydroxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 177376714
5-(6-Fluoro-8-hydroxy-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 177376715
5-(6-fluoro-8-hydroxy-4-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 177376720
5-(4-ethyl-6-fluoro-8-hydroxy-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 177376721
5-(6-Fluoro-8-hydroxy-3,4-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 177376722

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,8R,10R)-3-fluoro-5-hydroxy-10-(3-methylbutylamino)-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[(1R,8R,10R)-3-fluoro-5-hydroxy-10-(3-methylbutylamino)-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 169122678) is 5-[(1R,8R,10R)-3-fluoro-5-hydroxy-10-(3-methylbutylamino)-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[(1R,8R,10R)-3-fluoro-5-hydroxy-10-(3-methylbutylamino)-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[(1R,8R,10R)-3-fluoro-5-hydroxy-10-(3-methylbutylamino)-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is CC(C)CCN[C@@H]1C[C@H]2C[C@@H]1c1c2cc(O)c(N2CC(=O)NS2(=O)=O)c1F.
What is the InChIKey of 5-[(1R,8R,10R)-3-fluoro-5-hydroxy-10-(3-methylbutylamino)-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is ZWBQTXKXKXGAGT-KGYLQXTDSA-N. The full InChI is InChI=1S/C18H24FN3O4S/c1-9(2)3-4-20-13-6-10-5-12(13)16-11(10)7-14(23)18(17(16)19)22-8-15(24)21-27(22,25)26/h7,9-10,12-13,20,23H,3-6,8H2,1-2H3,(H,21,24)/t10-,12+,13-/m1/s1.
What are the key properties of 5-[(1R,8R,10R)-3-fluoro-5-hydroxy-10-(3-methylbutylamino)-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[(1R,8R,10R)-3-fluoro-5-hydroxy-10-(3-methylbutylamino)-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 397.47 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,8R,10R)-3-fluoro-5-hydroxy-10-(3-methylbutylamino)-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 169122678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).