8-(3,4-dimethoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C19H24N2O7S3 — CID 16830283

IUPAC8-(3,4-dimethoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2cccs2)cc1OC
InChIInChI=1S/C19H24N2O7S3/c1-26-16-6-5-15(14-17(16)27-2)30(22,23)20-9-7-19(8-10-20)21(11-12-28-19)31(24,25)18-4-3-13-29-18/h3-6,13-14H,7-12H2,1-2H3
InChIKeyHIVHADVKZZOYMS-UHFFFAOYSA-N
MW488.61 g/mol
LogP1.97
Rot. Bonds6

About 8-(3,4-dimethoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

8-(3,4-dimethoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 16830283) has the molecular formula C19H24N2O7S3 and a molecular weight of 488.61 g/mol. Its IUPAC name is 8-(3,4-dimethoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3,4-dimethoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID16830283
Molecular FormulaC19H24N2O7S3
Molecular Weight488.61 g/mol
Exact Mass488.07
IUPAC Name8-(3,4-dimethoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2cccs2)cc1OC
InChIInChI=1S/C19H24N2O7S3/c1-26-16-6-5-15(14-17(16)27-2)30(22,23)20-9-7-19(8-10-20)21(11-12-28-19)31(24,25)18-4-3-13-29-18/h3-6,13-14H,7-12H2,1-2H3
InChIKeyHIVHADVKZZOYMS-UHFFFAOYSA-N
XLogP1.97
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-((4-Methoxyphenyl)sulfonyl)-8-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830265
1-[(3,4-Dimethoxyphenyl)sulfonyl]-4-(2-thienylmethyl)piperazine
CID 9166109
8-((5-Fluoro-2-methoxyphenyl)sulfonyl)-4-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830290
8-((4-Methoxyphenyl)sulfonyl)-4-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830285
8-((2,5-Dimethoxyphenyl)sulfonyl)-4-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830288
8-((2-Methoxy-5-methylphenyl)sulfonyl)-4-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830289
8-((3,4-Dimethoxyphenyl)sulfonyl)-4-(phenylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830277
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 45846562
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylthiophene-2-sulfonamide
CID 16259676
6-[(2-(2-thienyl)pyrrolidinyl)sulfonyl]-2H,3H-benzo[e]1,4-dioxin
CID 16293180
5-(3,4-dimethoxyphenyl)sulfanyl-N-[3-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]thiophene-2-sulfonamide
CID 142896447
2-fluoro-4,5-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide
CID 43062057

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dimethoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(3,4-dimethoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 16830283) is 8-(3,4-dimethoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(3,4-dimethoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(3,4-dimethoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2cccs2)cc1OC.
What is the InChIKey of 8-(3,4-dimethoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is HIVHADVKZZOYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O7S3/c1-26-16-6-5-15(14-17(16)27-2)30(22,23)20-9-7-19(8-10-20)21(11-12-28-19)31(24,25)18-4-3-13-29-18/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 8-(3,4-dimethoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
8-(3,4-dimethoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 488.61 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dimethoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 16830283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).