8-(2,5-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C17H18F2N2O5S3 — CID 18577940

IUPAC8-(2,5-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1
InChIInChI=1S/C17H18F2N2O5S3/c18-13-3-4-14(19)15(12-13)28(22,23)20-7-5-17(6-8-20)21(9-10-26-17)29(24,25)16-2-1-11-27-16/h1-4,11-12H,5-10H2
InChIKeyOVEFVEHXNNFUJO-UHFFFAOYSA-N
MW464.54 g/mol
LogP2.23
Rot. Bonds4

About 8-(2,5-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

8-(2,5-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 18577940) has the molecular formula C17H18F2N2O5S3 and a molecular weight of 464.54 g/mol. Its IUPAC name is 8-(2,5-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2,5-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID18577940
Molecular FormulaC17H18F2N2O5S3
Molecular Weight464.54 g/mol
Exact Mass464.03
IUPAC Name8-(2,5-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1
InChIInChI=1S/C17H18F2N2O5S3/c18-13-3-4-14(19)15(12-13)28(22,23)20-7-5-17(6-8-20)21(9-10-26-17)29(24,25)16-2-1-11-27-16/h1-4,11-12H,5-10H2
InChIKeyOVEFVEHXNNFUJO-UHFFFAOYSA-N
XLogP2.23
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2,5-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(2,5-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 18577940) is 8-(2,5-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(2,5-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(2,5-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is O=S(=O)(c1cc(F)ccc1F)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1.
What is the InChIKey of 8-(2,5-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is OVEFVEHXNNFUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O5S3/c18-13-3-4-14(19)15(12-13)28(22,23)20-7-5-17(6-8-20)21(9-10-26-17)29(24,25)16-2-1-11-27-16/h1-4,11-12H,5-10H2.
What are the key properties of 8-(2,5-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
8-(2,5-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 464.54 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 18577940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).