2-(2,5-dimethoxyphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane

C16H23NO6S — CID 90537501

IUPAC2-(2,5-dimethoxyphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CC3(COC(C)(C)OC3)C2)c1
InChIInChI=1S/C16H23NO6S/c1-15(2)22-10-16(11-23-15)8-17(9-16)24(18,19)14-7-12(20-3)5-6-13(14)21-4/h5-7H,8-11H2,1-4H3
InChIKeyPDXFMWHPFBIXOT-UHFFFAOYSA-N
MW357.43 g/mol
LogP1.48
Rot. Bonds4

About 2-(2,5-dimethoxyphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane

2-(2,5-dimethoxyphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane (PubChem CID 90537501) has the molecular formula C16H23NO6S and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
PubChem CID90537501
Molecular FormulaC16H23NO6S
Molecular Weight357.43 g/mol
Exact Mass357.12
IUPAC Name2-(2,5-dimethoxyphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CC3(COC(C)(C)OC3)C2)c1
InChIInChI=1S/C16H23NO6S/c1-15(2)22-10-16(11-23-15)8-17(9-16)24(18,19)14-7-12(20-3)5-6-13(14)21-4/h5-7H,8-11H2,1-4H3
InChIKeyPDXFMWHPFBIXOT-UHFFFAOYSA-N
XLogP1.48
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxy-5-methylphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
CID 71789655
1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871378
(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107
[1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777963
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721462
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-oxazepane
CID 4987826
3-(2,5-dimethoxyphenyl)sulfonyl-1,3-oxazinane
CID 110739698
1-(1-adamantyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 3239959
4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]sulfonylaniline
CID 2052121
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 709843
1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 19684880

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-(2,5-dimethoxyphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane (CID 90537501) is 2-(2,5-dimethoxyphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane is COc1ccc(OC)c(S(=O)(=O)N2CC3(COC(C)(C)OC3)C2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane?
The InChIKey is PDXFMWHPFBIXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO6S/c1-15(2)22-10-16(11-23-15)8-17(9-16)24(18,19)14-7-12(20-3)5-6-13(14)21-4/h5-7H,8-11H2,1-4H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane?
2-(2,5-dimethoxyphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane has a molecular weight of 357.43 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 90537501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).