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

C17H20N2O5S3 — CID 18577942

IUPAC8-(benzenesulfonyl)-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1
InChIInChI=1S/C17H20N2O5S3/c20-26(21,15-5-2-1-3-6-15)18-10-8-17(9-11-18)19(12-13-24-17)27(22,23)16-7-4-14-25-16/h1-7,14H,8-13H2
InChIKeyYIIZHWPNUNFABW-UHFFFAOYSA-N
MW428.56 g/mol
LogP1.95
Rot. Bonds4

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

8-(benzenesulfonyl)-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 18577942) has the molecular formula C17H20N2O5S3 and a molecular weight of 428.56 g/mol. Its IUPAC name is 8-(benzenesulfonyl)-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(benzenesulfonyl)-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID18577942
Molecular FormulaC17H20N2O5S3
Molecular Weight428.56 g/mol
Exact Mass428.05
IUPAC Name8-(benzenesulfonyl)-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1
InChIInChI=1S/C17H20N2O5S3/c20-26(21,15-5-2-1-3-6-15)18-10-8-17(9-11-18)19(12-13-24-17)27(22,23)16-7-4-14-25-16/h1-7,14H,8-13H2
InChIKeyYIIZHWPNUNFABW-UHFFFAOYSA-N
XLogP1.95
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-(4-Chlorophenyl)sulfonyl-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 18577943
8-((2,5-Difluorophenyl)sulfonyl)-4-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 18577940
4-(Piperidine-1-sulfonyl)-N-(tetrahydro-furan-2-ylmethyl)-N-thiophen-2-ylmethyl-benzenesulfonamide
CID 647891
8-((4-Fluoro-3-methylphenyl)sulfonyl)-4-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16803327
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
4-fluoro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 4290332

Frequently Asked Questions

What is the IUPAC name of 8-(benzenesulfonyl)-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(benzenesulfonyl)-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 18577942) is 8-(benzenesulfonyl)-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(benzenesulfonyl)-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(benzenesulfonyl)-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is O=S(=O)(c1ccccc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1.
What is the InChIKey of 8-(benzenesulfonyl)-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is YIIZHWPNUNFABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S3/c20-26(21,15-5-2-1-3-6-15)18-10-8-17(9-11-18)19(12-13-24-17)27(22,23)16-7-4-14-25-16/h1-7,14H,8-13H2.
What are the key properties of 8-(benzenesulfonyl)-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
8-(benzenesulfonyl)-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 428.56 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(benzenesulfonyl)-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 18577942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).