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

C18H21FN2O5S3 — CID 16803327

IUPAC8-(4-fluoro-3-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCc1cc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2cccs2)ccc1F
InChIInChI=1S/C18H21FN2O5S3/c1-14-13-15(4-5-16(14)19)28(22,23)20-8-6-18(7-9-20)21(10-11-26-18)29(24,25)17-3-2-12-27-17/h2-5,12-13H,6-11H2,1H3
InChIKeyZFAYPJJNPSNAFK-UHFFFAOYSA-N
MW460.57 g/mol
LogP2.40
Rot. Bonds4

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

8-(4-fluoro-3-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 16803327) has the molecular formula C18H21FN2O5S3 and a molecular weight of 460.57 g/mol. Its IUPAC name is 8-(4-fluoro-3-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-fluoro-3-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID16803327
Molecular FormulaC18H21FN2O5S3
Molecular Weight460.57 g/mol
Exact Mass460.06
IUPAC Name8-(4-fluoro-3-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCc1cc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2cccs2)ccc1F
InChIInChI=1S/C18H21FN2O5S3/c1-14-13-15(4-5-16(14)19)28(22,23)20-8-6-18(7-9-20)21(10-11-26-18)29(24,25)17-3-2-12-27-17/h2-5,12-13H,6-11H2,1H3
InChIKeyZFAYPJJNPSNAFK-UHFFFAOYSA-N
XLogP2.40
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(4-fluoro-3-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane with MolForge

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Related Compounds

N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3242576
8-((4-Fluoro-2-methylphenyl)sulfonyl)-4-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16803326
4-(Thiophen-2-ylsulfonyl)-8-tosyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 16812912
8-((2,5-Dimethylphenyl)sulfonyl)-4-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830287
4-(Phenylsulfonyl)-8-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 18577935
8-((2,5-Difluorophenyl)sulfonyl)-4-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 18577940
8-(Thiophen-2-ylsulfonyl)-4-tosyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 16812908
8-(Mesitylsulfonyl)-4-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830284
8-((4-Fluorophenyl)sulfonyl)-4-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 18577941
8-(Phenylsulfonyl)-4-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 18577942
8-((4-Fluoro-3-methylphenyl)sulfonyl)-4-tosyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 16803308
8-((4-Fluoro-3-methylphenyl)sulfonyl)-4-(phenylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16803323

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoro-3-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(4-fluoro-3-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 16803327) is 8-(4-fluoro-3-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(4-fluoro-3-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(4-fluoro-3-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is Cc1cc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2cccs2)ccc1F.
What is the InChIKey of 8-(4-fluoro-3-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is ZFAYPJJNPSNAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O5S3/c1-14-13-15(4-5-16(14)19)28(22,23)20-8-6-18(7-9-20)21(10-11-26-18)29(24,25)17-3-2-12-27-17/h2-5,12-13H,6-11H2,1H3.
What are the key properties of 8-(4-fluoro-3-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
8-(4-fluoro-3-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 460.57 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoro-3-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 16803327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).