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

C18H21FN2O6S3 — CID 16830290

IUPAC8-(5-fluoro-2-methoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1
InChIInChI=1S/C18H21FN2O6S3/c1-26-15-5-4-14(19)13-16(15)29(22,23)20-8-6-18(7-9-20)21(10-11-27-18)30(24,25)17-3-2-12-28-17/h2-5,12-13H,6-11H2,1H3
InChIKeyLSHPMVDLNPXAFF-UHFFFAOYSA-N
MW476.57 g/mol
LogP2.10
Rot. Bonds5

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

8-(5-fluoro-2-methoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 16830290) has the molecular formula C18H21FN2O6S3 and a molecular weight of 476.57 g/mol. Its IUPAC name is 8-(5-fluoro-2-methoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(5-fluoro-2-methoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID16830290
Molecular FormulaC18H21FN2O6S3
Molecular Weight476.57 g/mol
Exact Mass476.05
IUPAC Name8-(5-fluoro-2-methoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1
InChIInChI=1S/C18H21FN2O6S3/c1-26-15-5-4-14(19)13-16(15)29(22,23)20-8-6-18(7-9-20)21(10-11-27-18)30(24,25)17-3-2-12-28-17/h2-5,12-13H,6-11H2,1H3
InChIKeyLSHPMVDLNPXAFF-UHFFFAOYSA-N
XLogP2.10
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoro-2-methoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(5-fluoro-2-methoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 16830290) is 8-(5-fluoro-2-methoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(5-fluoro-2-methoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(5-fluoro-2-methoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is COc1ccc(F)cc1S(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1.
What is the InChIKey of 8-(5-fluoro-2-methoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is LSHPMVDLNPXAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O6S3/c1-26-15-5-4-14(19)13-16(15)29(22,23)20-8-6-18(7-9-20)21(10-11-27-18)30(24,25)17-3-2-12-28-17/h2-5,12-13H,6-11H2,1H3.
What are the key properties of 8-(5-fluoro-2-methoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
8-(5-fluoro-2-methoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 476.57 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoro-2-methoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 16830290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).