(8S)-8-propan-2-yl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide

C9H16O3S — CID 176624995

IUPAC(8S)-8-propan-2-yl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide
SMILESCC(C)[C@@H]1CS(=O)(=O)CC12COC2
InChIInChI=1S/C9H16O3S/c1-7(2)8-3-13(10,11)6-9(8)4-12-5-9/h7-8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyQGKKCQBZZJVIJS-QMMMGPOBSA-N
MW204.29 g/mol
LogP0.70
Rot. Bonds1

About (8S)-8-propan-2-yl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide

(8S)-8-propan-2-yl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide (PubChem CID 176624995) has the molecular formula C9H16O3S and a molecular weight of 204.29 g/mol. Its IUPAC name is (8S)-8-propan-2-yl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide.

Molecular Properties

Compound Name(8S)-8-propan-2-yl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide
PubChem CID176624995
Molecular FormulaC9H16O3S
Molecular Weight204.29 g/mol
Exact Mass204.08
IUPAC Name(8S)-8-propan-2-yl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide
SMILESCC(C)[C@@H]1CS(=O)(=O)CC12COC2
InChIInChI=1S/C9H16O3S/c1-7(2)8-3-13(10,11)6-9(8)4-12-5-9/h7-8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyQGKKCQBZZJVIJS-QMMMGPOBSA-N
XLogP0.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8S)-8-propan-2-yl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide?
The IUPAC name of (8S)-8-propan-2-yl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide (CID 176624995) is (8S)-8-propan-2-yl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide.
What is the SMILES notation for (8S)-8-propan-2-yl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide?
The canonical SMILES for (8S)-8-propan-2-yl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide is CC(C)[C@@H]1CS(=O)(=O)CC12COC2.
What is the InChIKey of (8S)-8-propan-2-yl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide?
The InChIKey is QGKKCQBZZJVIJS-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16O3S/c1-7(2)8-3-13(10,11)6-9(8)4-12-5-9/h7-8H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (8S)-8-propan-2-yl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide?
(8S)-8-propan-2-yl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide has a molecular weight of 204.29 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-propan-2-yl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide is sourced from PubChem (CID 176624995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).