3-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid

C13H19N3O5S2 — CID 151255385

IUPAC3-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESCN(C1COC2(CCN(C(=O)O)CC2)C1)S(=O)(=O)c1nccs1
InChIInChI=1S/C13H19N3O5S2/c1-15(23(19,20)11-14-4-7-22-11)10-8-13(21-9-10)2-5-16(6-3-13)12(17)18/h4,7,10H,2-3,5-6,8-9H2,1H3,(H,17,18)
InChIKeyNTFIABSFRQLUGJ-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.07
Rot. Bonds3

About 3-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid

3-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid (PubChem CID 151255385) has the molecular formula C13H19N3O5S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name3-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
PubChem CID151255385
Molecular FormulaC13H19N3O5S2
Molecular Weight361.45 g/mol
Exact Mass361.08
IUPAC Name3-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESCN(C1COC2(CCN(C(=O)O)CC2)C1)S(=O)(=O)c1nccs1
InChIInChI=1S/C13H19N3O5S2/c1-15(23(19,20)11-14-4-7-22-11)10-8-13(21-9-10)2-5-16(6-3-13)12(17)18/h4,7,10H,2-3,5-6,8-9H2,1H3,(H,17,18)
InChIKeyNTFIABSFRQLUGJ-UHFFFAOYSA-N
XLogP1.07
TPSA100.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid with MolForge

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Related Compounds

US10858373, Example 40
CID 135238380
US10858373, Example 45
CID 135238396
[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl] (3R)-3-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 126502923
2-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-3-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 156529378
2-Amino-2-(1,3-thiazol-2-ylsulfonyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 135240388
(1,3-Thiazol-2-ylsulfonylamino) 1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 135240389
(3R)-3-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 153966434
N-[8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide
CID 134075674

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 3-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid (CID 151255385) is 3-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 3-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 3-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid is CN(C1COC2(CCN(C(=O)O)CC2)C1)S(=O)(=O)c1nccs1.
What is the InChIKey of 3-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is NTFIABSFRQLUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5S2/c1-15(23(19,20)11-14-4-7-22-11)10-8-13(21-9-10)2-5-16(6-3-13)12(17)18/h4,7,10H,2-3,5-6,8-9H2,1H3,(H,17,18).
What are the key properties of 3-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
3-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 361.45 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 151255385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).