8-(5-methylthiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane

C12H17NO3S3 — CID 56764682

IUPAC8-(5-methylthiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
SMILESCc1ccc(S(=O)(=O)N2CCC3(CC2)OCCS3)s1
InChIInChI=1S/C12H17NO3S3/c1-10-2-3-11(18-10)19(14,15)13-6-4-12(5-7-13)16-8-9-17-12/h2-3H,4-9H2,1H3
InChIKeyKKXPIWWZZYWBCC-UHFFFAOYSA-N
MW319.47 g/mol
LogP2.30
Rot. Bonds2

About 8-(5-methylthiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane

8-(5-methylthiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane (PubChem CID 56764682) has the molecular formula C12H17NO3S3 and a molecular weight of 319.47 g/mol. Its IUPAC name is 8-(5-methylthiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(5-methylthiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
PubChem CID56764682
Molecular FormulaC12H17NO3S3
Molecular Weight319.47 g/mol
Exact Mass319.04
IUPAC Name8-(5-methylthiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
SMILESCc1ccc(S(=O)(=O)N2CCC3(CC2)OCCS3)s1
InChIInChI=1S/C12H17NO3S3/c1-10-2-3-11(18-10)19(14,15)13-6-4-12(5-7-13)16-8-9-17-12/h2-3H,4-9H2,1H3
InChIKeyKKXPIWWZZYWBCC-UHFFFAOYSA-N
XLogP2.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(5-methylthiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The IUPAC name of 8-(5-methylthiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane (CID 56764682) is 8-(5-methylthiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(5-methylthiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(5-methylthiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane is Cc1ccc(S(=O)(=O)N2CCC3(CC2)OCCS3)s1.
What is the InChIKey of 8-(5-methylthiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The InChIKey is KKXPIWWZZYWBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S3/c1-10-2-3-11(18-10)19(14,15)13-6-4-12(5-7-13)16-8-9-17-12/h2-3H,4-9H2,1H3.
What are the key properties of 8-(5-methylthiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
8-(5-methylthiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane has a molecular weight of 319.47 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-methylthiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane is sourced from PubChem (CID 56764682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).