5-[(7S)-7-ethyl-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol

C14H18N2O4S — CID 91213748

IUPAC5-[(7S)-7-ethyl-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
SMILESCC[C@H]1CCc2cc(O)c(N3C=C(O)NS3(=O)=O)cc2C1
InChIInChI=1S/C14H18N2O4S/c1-2-9-3-4-10-7-13(17)12(6-11(10)5-9)16-8-14(18)15-21(16,19)20/h6-9,15,17-18H,2-5H2,1H3/t9-/m0/s1
InChIKeyRFZZQMKSUXRMDU-VIFPVBQESA-N
MW310.38 g/mol
LogP1.92
Rot. Bonds2

About 5-[(7S)-7-ethyl-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol

5-[(7S)-7-ethyl-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol (PubChem CID 91213748) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 5-[(7S)-7-ethyl-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol.

Molecular Properties

Compound Name5-[(7S)-7-ethyl-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
PubChem CID91213748
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name5-[(7S)-7-ethyl-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
SMILESCC[C@H]1CCc2cc(O)c(N3C=C(O)NS3(=O)=O)cc2C1
InChIInChI=1S/C14H18N2O4S/c1-2-9-3-4-10-7-13(17)12(6-11(10)5-9)16-8-14(18)15-21(16,19)20/h6-9,15,17-18H,2-5H2,1H3/t9-/m0/s1
InChIKeyRFZZQMKSUXRMDU-VIFPVBQESA-N
XLogP1.92
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(7S)-7-ethyl-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The IUPAC name of 5-[(7S)-7-ethyl-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol (CID 91213748) is 5-[(7S)-7-ethyl-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol.
What is the SMILES notation for 5-[(7S)-7-ethyl-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The canonical SMILES for 5-[(7S)-7-ethyl-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol is CC[C@H]1CCc2cc(O)c(N3C=C(O)NS3(=O)=O)cc2C1.
What is the InChIKey of 5-[(7S)-7-ethyl-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The InChIKey is RFZZQMKSUXRMDU-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-2-9-3-4-10-7-13(17)12(6-11(10)5-9)16-8-14(18)15-21(16,19)20/h6-9,15,17-18H,2-5H2,1H3/t9-/m0/s1.
What are the key properties of 5-[(7S)-7-ethyl-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
5-[(7S)-7-ethyl-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol has a molecular weight of 310.38 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7S)-7-ethyl-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol is sourced from PubChem (CID 91213748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).