2-methyl-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylic acid

C9H15NO2S2 — CID 21016321

IUPAC2-methyl-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylic acid
SMILESCN1CC2(CC1C(=O)O)SCCCS2
InChIInChI=1S/C9H15NO2S2/c1-10-6-9(5-7(10)8(11)12)13-3-2-4-14-9/h7H,2-6H2,1H3,(H,11,12)
InChIKeyNFICMIGIIQBHLN-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.34
Rot. Bonds1

About 2-methyl-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylic acid

2-methyl-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylic acid (PubChem CID 21016321) has the molecular formula C9H15NO2S2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-methyl-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylic acid
PubChem CID21016321
Molecular FormulaC9H15NO2S2
Molecular Weight233.36 g/mol
Exact Mass233.05
IUPAC Name2-methyl-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylic acid
SMILESCN1CC2(CC1C(=O)O)SCCCS2
InChIInChI=1S/C9H15NO2S2/c1-10-6-9(5-7(10)8(11)12)13-3-2-4-14-9/h7H,2-6H2,1H3,(H,11,12)
InChIKeyNFICMIGIIQBHLN-UHFFFAOYSA-N
XLogP1.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1,4,4-trimethylpyrrolidine-2-carboxylic acid
CID 131632229
7-[(2S)-2-aminopropanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid
CID 57222065
(6S)-2,2,5-trimethyl-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 90262412
methyl (3S)-2-benzoyloxy-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate
CID 163630364
(3S)-2-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylic acid
CID 11568786
(8R)-8-methyl-1,4-dithia-7-azaspiro[4.4]nonane-7-carboxylic acid
CID 56609160
1,5,5-trimethylpiperidine-2-carboxylic acid
CID 118119871
5-hydroxy-6-[2-[(3S)-2-methyl-6,10-dithia-2-azaspiro[4.5]decan-3-yl]-2-oxoethyl]-4-oxo-N-[(1S)-2-oxo-1-phenylpropyl]nonanamide
CID 58263312
methyl (3S)-2-(2-amino-2-cyclohexylacetyl)-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate
CID 59042299
(8R,10R)-1,5-dithiaspiro[5.5]undecane-8,10-diol
CID 132562581
3,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
CID 89049247
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 2-methyl-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylic acid (CID 21016321) is 2-methyl-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 2-methyl-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 2-methyl-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylic acid is CN1CC2(CC1C(=O)O)SCCCS2.
What is the InChIKey of 2-methyl-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is NFICMIGIIQBHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S2/c1-10-6-9(5-7(10)8(11)12)13-3-2-4-14-9/h7H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-methyl-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylic acid?
2-methyl-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 233.36 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 21016321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).