(8R)-1,4-dithiaspiro[4.4]nonane-8-carboxylic acid

C8H12O2S2 — CID 99996158

IUPAC(8R)-1,4-dithiaspiro[4.4]nonane-8-carboxylic acid
SMILESO=C(O)[C@@H]1CCC2(C1)SCCS2
InChIInChI=1S/C8H12O2S2/c9-7(10)6-1-2-8(5-6)11-3-4-12-8/h6H,1-5H2,(H,9,10)/t6-/m1/s1
InChIKeyDWYZQVWIRSAKFG-ZCFIWIBFSA-N
MW204.32 g/mol
LogP2.05
Rot. Bonds1

About (8R)-1,4-dithiaspiro[4.4]nonane-8-carboxylic acid

(8R)-1,4-dithiaspiro[4.4]nonane-8-carboxylic acid (PubChem CID 99996158) has the molecular formula C8H12O2S2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (8R)-1,4-dithiaspiro[4.4]nonane-8-carboxylic acid.

Molecular Properties

Compound Name(8R)-1,4-dithiaspiro[4.4]nonane-8-carboxylic acid
PubChem CID99996158
Molecular FormulaC8H12O2S2
Molecular Weight204.32 g/mol
Exact Mass204.03
IUPAC Name(8R)-1,4-dithiaspiro[4.4]nonane-8-carboxylic acid
SMILESO=C(O)[C@@H]1CCC2(C1)SCCS2
InChIInChI=1S/C8H12O2S2/c9-7(10)6-1-2-8(5-6)11-3-4-12-8/h6H,1-5H2,(H,9,10)/t6-/m1/s1
InChIKeyDWYZQVWIRSAKFG-ZCFIWIBFSA-N
XLogP2.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (8R)-1,4-dithiaspiro[4.4]nonane-8-carboxylate
CID 99996163
3,3-dihydroxycyclopentane-1-carboxylic acid
CID 67929383
(3R,5S,10R)-10-oxo-6,10λ4-dithiaspiro[4.5]decane-3-carboxylic acid
CID 124857814
spiro[4.5]decane-3-carboxylic acid
CID 13443385
1-azaspiro[2.4]heptane-5-carboxylic acid
CID 87945137
3-acetyl-3-methylcyclopentane-1-carboxylic acid
CID 89159175
3-hydroxy-3-(trifluoromethyl)cyclopentane-1-carboxylic acid
CID 83915930
(9S)-spiro[4.5]decane-9-carboxylic acid
CID 67991694
cis-(1S,3S)-1-(dimethylamino)cyclopentane-1,3-dicarboxylic acid
CID 71579136
1-hydroxy-2,2,7,7-tetramethylazepane-4-carboxylic acid
CID 18522538
4-amino-4-hydroxycyclohexane-1-carboxylic acid
CID 123288864
trans-(1S,3R)-3-methoxycarbonyl-3-methylcyclopentane-1-carboxylic acid
CID 121455557

Frequently Asked Questions

What is the IUPAC name of (8R)-1,4-dithiaspiro[4.4]nonane-8-carboxylic acid?
The IUPAC name of (8R)-1,4-dithiaspiro[4.4]nonane-8-carboxylic acid (CID 99996158) is (8R)-1,4-dithiaspiro[4.4]nonane-8-carboxylic acid.
What is the SMILES notation for (8R)-1,4-dithiaspiro[4.4]nonane-8-carboxylic acid?
The canonical SMILES for (8R)-1,4-dithiaspiro[4.4]nonane-8-carboxylic acid is O=C(O)[C@@H]1CCC2(C1)SCCS2.
What is the InChIKey of (8R)-1,4-dithiaspiro[4.4]nonane-8-carboxylic acid?
The InChIKey is DWYZQVWIRSAKFG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12O2S2/c9-7(10)6-1-2-8(5-6)11-3-4-12-8/h6H,1-5H2,(H,9,10)/t6-/m1/s1.
What are the key properties of (8R)-1,4-dithiaspiro[4.4]nonane-8-carboxylic acid?
(8R)-1,4-dithiaspiro[4.4]nonane-8-carboxylic acid has a molecular weight of 204.32 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-1,4-dithiaspiro[4.4]nonane-8-carboxylic acid is sourced from PubChem (CID 99996158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).