(5S,9S)-7-(benzenesulfonyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane

C14H19NO4S — CID 110156522

IUPAC(5S,9S)-7-(benzenesulfonyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane
SMILESCO[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@]12CCCO2
InChIInChI=1S/C14H19NO4S/c1-18-13-10-15(11-14(13)8-5-9-19-14)20(16,17)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3/t13-,14-/m0/s1
InChIKeyXMPRTASGZWHSGH-KBPBESRZSA-N
MW297.38 g/mol
LogP1.26
Rot. Bonds3

About (5S,9S)-7-(benzenesulfonyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane

(5S,9S)-7-(benzenesulfonyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 110156522) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is (5S,9S)-7-(benzenesulfonyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(5S,9S)-7-(benzenesulfonyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane
PubChem CID110156522
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name(5S,9S)-7-(benzenesulfonyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane
SMILESCO[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@]12CCCO2
InChIInChI=1S/C14H19NO4S/c1-18-13-10-15(11-14(13)8-5-9-19-14)20(16,17)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3/t13-,14-/m0/s1
InChIKeyXMPRTASGZWHSGH-KBPBESRZSA-N
XLogP1.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(8S)-2-(benzenesulfonyl)-8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124796737
(5S,6S)-6-methoxy-8-morpholin-4-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane
CID 110159673
(5S)-9-(3-methoxyphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97116828
(1,2-dimethylindol-3-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 110156922
4-(benzenesulfonyl)-2,2,6-trimethylmorpholine
CID 47429979
9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90510515
(5S,6S)-8-pyridin-3-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110159618
(3S)-3-methoxy-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
CID 97450738
2-methoxy-5-(4-methoxy-3,3-dimethylpyrrolidin-1-yl)sulfonylbenzoic acid
CID 166259283
4-(benzenesulfonyl)-2,6-bis(methoxymethyl)-1-methylpiperazine
CID 67277826
1-[4-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]piperidin-1-yl]ethanone
CID 110156724
methyl 2-[4-(benzenesulfonyl)morpholin-2-yl]acetate
CID 79771144

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-7-(benzenesulfonyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of (5S,9S)-7-(benzenesulfonyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane (CID 110156522) is (5S,9S)-7-(benzenesulfonyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (5S,9S)-7-(benzenesulfonyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (5S,9S)-7-(benzenesulfonyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane is CO[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@]12CCCO2.
What is the InChIKey of (5S,9S)-7-(benzenesulfonyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is XMPRTASGZWHSGH-KBPBESRZSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-18-13-10-15(11-14(13)8-5-9-19-14)20(16,17)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3/t13-,14-/m0/s1.
What are the key properties of (5S,9S)-7-(benzenesulfonyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane?
(5S,9S)-7-(benzenesulfonyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 297.38 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-7-(benzenesulfonyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 110156522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).