spiro[1,3-thiazinane-2,4'-1-azabicyclo[3.2.1]octane]-4-carboxylic acid

C11H18N2O2S — CID 105365523

IUPACspiro[1,3-thiazinane-2,4'-1-azabicyclo[3.2.1]octane]-4-carboxylic acid
SMILESO=C(O)C1CCSC2(CCN3CCC2C3)N1
InChIInChI=1S/C11H18N2O2S/c14-10(15)9-2-6-16-11(12-9)3-5-13-4-1-8(11)7-13/h8-9,12H,1-7H2,(H,14,15)
InChIKeyIFEFRZZJVIJSBL-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.59
Rot. Bonds1

About spiro[1,3-thiazinane-2,4'-1-azabicyclo[3.2.1]octane]-4-carboxylic acid

spiro[1,3-thiazinane-2,4'-1-azabicyclo[3.2.1]octane]-4-carboxylic acid (PubChem CID 105365523) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is spiro[1,3-thiazinane-2,4'-1-azabicyclo[3.2.1]octane]-4-carboxylic acid.

Molecular Properties

Compound Namespiro[1,3-thiazinane-2,4'-1-azabicyclo[3.2.1]octane]-4-carboxylic acid
PubChem CID105365523
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Namespiro[1,3-thiazinane-2,4'-1-azabicyclo[3.2.1]octane]-4-carboxylic acid
SMILESO=C(O)C1CCSC2(CCN3CCC2C3)N1
InChIInChI=1S/C11H18N2O2S/c14-10(15)9-2-6-16-11(12-9)3-5-13-4-1-8(11)7-13/h8-9,12H,1-7H2,(H,14,15)
InChIKeyIFEFRZZJVIJSBL-UHFFFAOYSA-N
XLogP0.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-spiro[1,3-thiazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-carboxylic acid
CID 107773845
6-thia-10-azaspiro[4.5]decane-9-carboxylic acid
CID 80500015
2-ethyl-2-methyl-1,3-thiazinane-4-carboxylic acid
CID 80500428
4-amino-1-azabicyclo[3.2.1]octane-4-carboxylic acid
CID 105434470
2-methyl-2-propan-2-yl-1,3-thiazinane-4-carboxylic acid
CID 80500865
2-(2-methoxyethyl)-2-methyl-1,3-thiazinane-4-carboxylic acid
CID 80500615
[4-(cyclopropylmethylamino)-1-azabicyclo[3.2.1]octan-4-yl]methanol
CID 105366063
ethyl 3-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)propanoate
CID 105366095
spiro[1,3-thiazinane-2,3'-2,4-dihydro-1H-naphthalene]-4-carboxylic acid
CID 80500014
methyl 4-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylate
CID 105441572
ethyl 2-[4-(methylamino)-1-azabicyclo[3.2.1]octan-4-yl]acetate
CID 105366232
1',1'-dimethylspiro[1,3-thiazinane-2,4'-2,3-dihydronaphthalene]-4-carboxylic acid
CID 80500616

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-thiazinane-2,4'-1-azabicyclo[3.2.1]octane]-4-carboxylic acid?
The IUPAC name of spiro[1,3-thiazinane-2,4'-1-azabicyclo[3.2.1]octane]-4-carboxylic acid (CID 105365523) is spiro[1,3-thiazinane-2,4'-1-azabicyclo[3.2.1]octane]-4-carboxylic acid.
What is the SMILES notation for spiro[1,3-thiazinane-2,4'-1-azabicyclo[3.2.1]octane]-4-carboxylic acid?
The canonical SMILES for spiro[1,3-thiazinane-2,4'-1-azabicyclo[3.2.1]octane]-4-carboxylic acid is O=C(O)C1CCSC2(CCN3CCC2C3)N1.
What is the InChIKey of spiro[1,3-thiazinane-2,4'-1-azabicyclo[3.2.1]octane]-4-carboxylic acid?
The InChIKey is IFEFRZZJVIJSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c14-10(15)9-2-6-16-11(12-9)3-5-13-4-1-8(11)7-13/h8-9,12H,1-7H2,(H,14,15).
What are the key properties of spiro[1,3-thiazinane-2,4'-1-azabicyclo[3.2.1]octane]-4-carboxylic acid?
spiro[1,3-thiazinane-2,4'-1-azabicyclo[3.2.1]octane]-4-carboxylic acid has a molecular weight of 242.34 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-thiazinane-2,4'-1-azabicyclo[3.2.1]octane]-4-carboxylic acid is sourced from PubChem (CID 105365523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).