8-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane

C16H23NO4S2 — CID 56764699

IUPAC8-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CCC2(CC1)OCCS2
InChIInChI=1S/C16H23NO4S2/c1-12-10-14(20-3)15(11-13(12)2)23(18,19)17-6-4-16(5-7-17)21-8-9-22-16/h10-11H,4-9H2,1-3H3
InChIKeyIHNBEWVMTVHUCJ-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.56
Rot. Bonds3

About 8-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane

8-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane (PubChem CID 56764699) has the molecular formula C16H23NO4S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 8-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
PubChem CID56764699
Molecular FormulaC16H23NO4S2
Molecular Weight357.50 g/mol
Exact Mass357.11
IUPAC Name8-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CCC2(CC1)OCCS2
InChIInChI=1S/C16H23NO4S2/c1-12-10-14(20-3)15(11-13(12)2)23(18,19)17-6-4-16(5-7-17)21-8-9-22-16/h10-11H,4-9H2,1-3H3
InChIKeyIHNBEWVMTVHUCJ-UHFFFAOYSA-N
XLogP2.56
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-Ethoxy-5-isopropyl-4-methylphenyl)sulfonyl]morpholine
CID 935156
4-[(5-Isopropyl-2-methoxy-4-methylphenyl)sulfonyl]morpholine
CID 747368
1-((2-Ethoxy-5-isopropyl-4-methylphenyl)sulfonyl)-4-methylpiperazine
CID 934731
4-[(2-Ethoxy-5-isopropyl-4-methylphenyl)sulfonyl]-2,6-dimethylmorpholine
CID 2981287
2-Ethyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 3499882
N-((1-isopropylpiperidin-4-yl)methyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 16887550
2-methoxy-N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)-4,5-dimethylbenzenesulfonamide
CID 16887637
(3R)-1-[(2-methoxy-4,5-dimethylphenyl)sulfonyl]-3,4,4-trimethyl-3-pyrrolidinol
CID 72876347
4-{(3S,4R)-4-[(2-methoxy-5-methylphenyl)sulfonyl]-1,1-dioxidotetrahydrothiophen-3-yl}morpholine
CID 17596915
N-[2-[5-(4-fluorophenyl)sulfonyl-4-methoxy-2-methylphenyl]ethyl]-N-methylpropan-1-amine
CID 143053874
2-ethoxy-N,N-diethyl-5-isopropyl-4-methylbenzenesulfonamide
CID 850053
Cyclohexylethyl{[2-methoxy-4-methyl-5-(methylethyl)phenyl]sulfonyl}amine
CID 20105604

Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane (CID 56764699) is 8-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane is COc1cc(C)c(C)cc1S(=O)(=O)N1CCC2(CC1)OCCS2.
What is the InChIKey of 8-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The InChIKey is IHNBEWVMTVHUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4S2/c1-12-10-14(20-3)15(11-13(12)2)23(18,19)17-6-4-16(5-7-17)21-8-9-22-16/h10-11H,4-9H2,1-3H3.
What are the key properties of 8-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
8-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane has a molecular weight of 357.50 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane is sourced from PubChem (CID 56764699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).