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

C17H20N2O5S3 — CID 18577935

IUPAC4-(benzenesulfonyl)-8-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1cccs1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20N2O5S3/c20-26(21,15-5-2-1-3-6-15)19-12-13-24-17(19)8-10-18(11-9-17)27(22,23)16-7-4-14-25-16/h1-7,14H,8-13H2
InChIKeyHJGOYBQQYMRCFC-UHFFFAOYSA-N
MW428.56 g/mol
LogP1.95
Rot. Bonds4

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

4-(benzenesulfonyl)-8-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 18577935) has the molecular formula C17H20N2O5S3 and a molecular weight of 428.56 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-8-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-(benzenesulfonyl)-8-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID18577935
Molecular FormulaC17H20N2O5S3
Molecular Weight428.56 g/mol
Exact Mass428.05
IUPAC Name4-(benzenesulfonyl)-8-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1cccs1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20N2O5S3/c20-26(21,15-5-2-1-3-6-15)19-12-13-24-17(19)8-10-18(11-9-17)27(22,23)16-7-4-14-25-16/h1-7,14H,8-13H2
InChIKeyHJGOYBQQYMRCFC-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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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-8-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 4-(benzenesulfonyl)-8-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 18577935) is 4-(benzenesulfonyl)-8-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-(benzenesulfonyl)-8-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-(benzenesulfonyl)-8-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is O=S(=O)(c1cccs1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-8-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is HJGOYBQQYMRCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S3/c20-26(21,15-5-2-1-3-6-15)19-12-13-24-17(19)8-10-18(11-9-17)27(22,23)16-7-4-14-25-16/h1-7,14H,8-13H2.
What are the key properties of 4-(benzenesulfonyl)-8-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
4-(benzenesulfonyl)-8-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 4-(benzenesulfonyl)-8-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 18577935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).