(4R)-4-[8-(3-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-1,3-thiazolidin-2-one

C19H25N3O5S2 — CID 74226589

IUPAC(4R)-4-[8-(3-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-1,3-thiazolidin-2-one
SMILESCOc1cccc(S(=O)(=O)N2CCC3(CCN(C(=O)[C@@H]4CSC(=O)N4)C3)CC2)c1
InChIInChI=1S/C19H25N3O5S2/c1-27-14-3-2-4-15(11-14)29(25,26)22-9-6-19(7-10-22)5-8-21(13-19)17(23)16-12-28-18(24)20-16/h2-4,11,16H,5-10,12-13H2,1H3,(H,20,24)/t16-/m0/s1
InChIKeyXPOZPBDSPRGXPW-INIZCTEOSA-N
MW439.56 g/mol
LogP1.52
Rot. Bonds4

About (4R)-4-[8-(3-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-1,3-thiazolidin-2-one

(4R)-4-[8-(3-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-1,3-thiazolidin-2-one (PubChem CID 74226589) has the molecular formula C19H25N3O5S2 and a molecular weight of 439.56 g/mol. Its IUPAC name is (4R)-4-[8-(3-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[8-(3-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-1,3-thiazolidin-2-one
PubChem CID74226589
Molecular FormulaC19H25N3O5S2
Molecular Weight439.56 g/mol
Exact Mass439.12
IUPAC Name(4R)-4-[8-(3-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-1,3-thiazolidin-2-one
SMILESCOc1cccc(S(=O)(=O)N2CCC3(CCN(C(=O)[C@@H]4CSC(=O)N4)C3)CC2)c1
InChIInChI=1S/C19H25N3O5S2/c1-27-14-3-2-4-15(11-14)29(25,26)22-9-6-19(7-10-22)5-8-21(13-19)17(23)16-12-28-18(24)20-16/h2-4,11,16H,5-10,12-13H2,1H3,(H,20,24)/t16-/m0/s1
InChIKeyXPOZPBDSPRGXPW-INIZCTEOSA-N
XLogP1.52
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,2S)-2-[8-(3-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]cyclohexyl]benzamide
CID 74227223
1-(3-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 81264716
[2-[8-(3-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-3-pyridinyl]-phenylmethanone
CID 3852544
cyclopentyl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 110818032
4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 122137368
4-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-1,3-thiazolidin-2-one
CID 5167455
8-(3-methoxyphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)-2,8-diazaspiro[4.5]decane-2-carbothioamide
CID 4997900
9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90510515
1-[8-(3-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-2-yl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylethanone
CID 3671292
(5S)-9-(3-methoxyphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97116828
[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 124505554
1-[2-(5-chloronaphthalen-2-yl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone
CID 4657643

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[8-(3-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-1,3-thiazolidin-2-one?
The IUPAC name of (4R)-4-[8-(3-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-1,3-thiazolidin-2-one (CID 74226589) is (4R)-4-[8-(3-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for (4R)-4-[8-(3-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-1,3-thiazolidin-2-one?
The canonical SMILES for (4R)-4-[8-(3-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-1,3-thiazolidin-2-one is COc1cccc(S(=O)(=O)N2CCC3(CCN(C(=O)[C@@H]4CSC(=O)N4)C3)CC2)c1.
What is the InChIKey of (4R)-4-[8-(3-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-1,3-thiazolidin-2-one?
The InChIKey is XPOZPBDSPRGXPW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O5S2/c1-27-14-3-2-4-15(11-14)29(25,26)22-9-6-19(7-10-22)5-8-21(13-19)17(23)16-12-28-18(24)20-16/h2-4,11,16H,5-10,12-13H2,1H3,(H,20,24)/t16-/m0/s1.
What are the key properties of (4R)-4-[8-(3-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-1,3-thiazolidin-2-one?
(4R)-4-[8-(3-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-1,3-thiazolidin-2-one has a molecular weight of 439.56 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[8-(3-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 74226589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).