5-[5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]thiophen-2-yl]-3-methyl-1,2-oxazole

C18H24N2O4S2 — CID 135089894

IUPAC5-[5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]thiophen-2-yl]-3-methyl-1,2-oxazole
SMILESCO[C@@H]1CCC[C@]12CCCN(S(=O)(=O)c1ccc(-c3cc(C)no3)s1)C2
InChIInChI=1S/C18H24N2O4S2/c1-13-11-14(24-19-13)15-6-7-17(25-15)26(21,22)20-10-4-9-18(12-20)8-3-5-16(18)23-2/h6-7,11,16H,3-5,8-10,12H2,1-2H3/t16-,18-/m1/s1
InChIKeyJDYUJFIYDRBTFX-SJLPKXTDSA-N
MW396.53 g/mol
LogP3.68
Rot. Bonds4

About 5-[5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]thiophen-2-yl]-3-methyl-1,2-oxazole

5-[5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]thiophen-2-yl]-3-methyl-1,2-oxazole (PubChem CID 135089894) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is 5-[5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]thiophen-2-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]thiophen-2-yl]-3-methyl-1,2-oxazole
PubChem CID135089894
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC Name5-[5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]thiophen-2-yl]-3-methyl-1,2-oxazole
SMILESCO[C@@H]1CCC[C@]12CCCN(S(=O)(=O)c1ccc(-c3cc(C)no3)s1)C2
InChIInChI=1S/C18H24N2O4S2/c1-13-11-14(24-19-13)15-6-7-17(25-15)26(21,22)20-10-4-9-18(12-20)8-3-5-16(18)23-2/h6-7,11,16H,3-5,8-10,12H2,1-2H3/t16-,18-/m1/s1
InChIKeyJDYUJFIYDRBTFX-SJLPKXTDSA-N
XLogP3.68
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4R,5R)-7-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane
CID 135108992
3-methyl-5-[5-(3-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
CID 20936295
(4R,5R)-7-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane
CID 135104842
3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]-4-methylbenzoic acid
CID 135107118
4-chloro-3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]benzoic acid
CID 135113090
3-methyl-5-[5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,2-oxazole
CID 20936224
5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonic acid
CID 87522048
(4R,5R)-4-methoxy-7-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-7-azaspiro[4.5]decane
CID 135118639
5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 20936312
5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole
CID 45106725
4-[5-(2,7-diazaspiro[4.5]decan-7-ylsulfonyl)thiophen-2-yl]-3,5-dimethyl-1,2-oxazole;hydrochloride
CID 154915776
3-methyl-9-(5-pyridin-3-ylthiophen-2-yl)sulfonyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 171913941

Frequently Asked Questions

What is the IUPAC name of 5-[5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]thiophen-2-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]thiophen-2-yl]-3-methyl-1,2-oxazole (CID 135089894) is 5-[5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]thiophen-2-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]thiophen-2-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]thiophen-2-yl]-3-methyl-1,2-oxazole is CO[C@@H]1CCC[C@]12CCCN(S(=O)(=O)c1ccc(-c3cc(C)no3)s1)C2.
What is the InChIKey of 5-[5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]thiophen-2-yl]-3-methyl-1,2-oxazole?
The InChIKey is JDYUJFIYDRBTFX-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-13-11-14(24-19-13)15-6-7-17(25-15)26(21,22)20-10-4-9-18(12-20)8-3-5-16(18)23-2/h6-7,11,16H,3-5,8-10,12H2,1-2H3/t16-,18-/m1/s1.
What are the key properties of 5-[5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]thiophen-2-yl]-3-methyl-1,2-oxazole?
5-[5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]thiophen-2-yl]-3-methyl-1,2-oxazole has a molecular weight of 396.53 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]thiophen-2-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 135089894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).