(1R,6R)-2,7-dimethyl-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide

C10H16O2S — CID 118070644

IUPAC(1R,6R)-2,7-dimethyl-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide
SMILESCC1C2C3(C)C[C@H]1C[C@H]3CS2(=O)=O
InChIInChI=1S/C10H16O2S/c1-6-7-3-8-5-13(11,12)9(6)10(8,2)4-7/h6-9H,3-5H2,1-2H3/t6?,7-,8+,9?,10?/m1/s1
InChIKeyDHTSFQPDXMANLN-RGJLLFKYSA-N
MW200.30 g/mol
LogP1.47
Rot. Bonds

About (1R,6R)-2,7-dimethyl-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide

(1R,6R)-2,7-dimethyl-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide (PubChem CID 118070644) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is (1R,6R)-2,7-dimethyl-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide.

Molecular Properties

Compound Name(1R,6R)-2,7-dimethyl-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide
PubChem CID118070644
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name(1R,6R)-2,7-dimethyl-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide
SMILESCC1C2C3(C)C[C@H]1C[C@H]3CS2(=O)=O
InChIInChI=1S/C10H16O2S/c1-6-7-3-8-5-13(11,12)9(6)10(8,2)4-7/h6-9H,3-5H2,1-2H3/t6?,7-,8+,9?,10?/m1/s1
InChIKeyDHTSFQPDXMANLN-RGJLLFKYSA-N
XLogP1.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,6R)-2,7-dimethyl-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide with MolForge

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Related Compounds

7,9-dimethyl-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide
CID 59623155
1-methyltricyclo[4.2.0.03,8]octane
CID 146747804
(1S,3S,5S,7S,9S)-3,9-dimethyl-2-oxatricyclo[3.3.1.03,7]nonane
CID 155589435
9-iodo-7-methyl-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide
CID 155094464
(2S)-2,3-dimethylthietane 1,1-dioxide
CID 130381680
(2R,6R)-2,6-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 154026473
(1R,2R,4S)-5,5-dimethylbicyclo[2.2.1]heptan-2-ol
CID 7164520
(1S,2S,4S)-5,5-dimethylbicyclo[2.2.1]heptan-2-ol
CID 11887485
4-methyltricyclo[3.3.1.03,7]nonan-1-ol
CID 123795374
(1S,3R,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane
CID 14744268
8-fluoro-8-methyl-6λ6-thia-3-azabicyclo[3.2.1]octane 6,6-dioxide
CID 105446953
2-ethyl-1,5-dimethylbicyclo[2.1.1]hexane
CID 123709133

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-2,7-dimethyl-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide?
The IUPAC name of (1R,6R)-2,7-dimethyl-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide (CID 118070644) is (1R,6R)-2,7-dimethyl-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide.
What is the SMILES notation for (1R,6R)-2,7-dimethyl-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide?
The canonical SMILES for (1R,6R)-2,7-dimethyl-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide is CC1C2C3(C)C[C@H]1C[C@H]3CS2(=O)=O.
What is the InChIKey of (1R,6R)-2,7-dimethyl-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide?
The InChIKey is DHTSFQPDXMANLN-RGJLLFKYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-6-7-3-8-5-13(11,12)9(6)10(8,2)4-7/h6-9H,3-5H2,1-2H3/t6?,7-,8+,9?,10?/m1/s1.
What are the key properties of (1R,6R)-2,7-dimethyl-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide?
(1R,6R)-2,7-dimethyl-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide has a molecular weight of 200.30 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-2,7-dimethyl-4λ6-thiatricyclo[4.2.1.03,7]nonane 4,4-dioxide is sourced from PubChem (CID 118070644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).