(8S)-8-methoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane

C15H21NO5S — CID 124800923

IUPAC(8S)-8-methoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane
SMILESCOc1cccc(S(=O)(=O)N2CC3(C[C@@H](OC)CCO3)C2)c1
InChIInChI=1S/C15H21NO5S/c1-19-12-4-3-5-14(8-12)22(17,18)16-10-15(11-16)9-13(20-2)6-7-21-15/h3-5,8,13H,6-7,9-11H2,1-2H3/t13-/m0/s1
InChIKeyJKXWLKUTCFXJBV-ZDUSSCGKSA-N
MW327.40 g/mol
LogP1.26
Rot. Bonds4

About (8S)-8-methoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane

(8S)-8-methoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124800923) has the molecular formula C15H21NO5S and a molecular weight of 327.40 g/mol. Its IUPAC name is (8S)-8-methoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8S)-8-methoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124800923
Molecular FormulaC15H21NO5S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC Name(8S)-8-methoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane
SMILESCOc1cccc(S(=O)(=O)N2CC3(C[C@@H](OC)CCO3)C2)c1
InChIInChI=1S/C15H21NO5S/c1-19-12-4-3-5-14(8-12)22(17,18)16-10-15(11-16)9-13(20-2)6-7-21-15/h3-5,8,13H,6-7,9-11H2,1-2H3/t13-/m0/s1
InChIKeyJKXWLKUTCFXJBV-ZDUSSCGKSA-N
XLogP1.26
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(8R)-8-ethoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane
CID 124800681
(8S)-2-(3-fluorophenyl)sulfonyl-8-methoxy-5-oxa-2-azaspiro[3.5]nonane
CID 124804203
1-(3-methoxyphenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine
CID 90616602
(5S)-9-(3-methoxyphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97116828
(3S)-3-methoxy-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
CID 97450738
9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90510515
(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone
CID 91917960
4,8-bis[(3-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane
CID 59565045
4-(3-methoxyphenyl)sulfonyl-2-methylmorpholine-2-carboxamide
CID 118739873
(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258608
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194
(8S)-2-(4-methylphenyl)sulfonyl-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124811015

Frequently Asked Questions

What is the IUPAC name of (8S)-8-methoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8S)-8-methoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane (CID 124800923) is (8S)-8-methoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8S)-8-methoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8S)-8-methoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane is COc1cccc(S(=O)(=O)N2CC3(C[C@@H](OC)CCO3)C2)c1.
What is the InChIKey of (8S)-8-methoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is JKXWLKUTCFXJBV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21NO5S/c1-19-12-4-3-5-14(8-12)22(17,18)16-10-15(11-16)9-13(20-2)6-7-21-15/h3-5,8,13H,6-7,9-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (8S)-8-methoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane?
(8S)-8-methoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 327.40 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-methoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124800923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).