7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane

C13H17NO3S — CID 97399392

IUPAC7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CC1)COC2
InChIInChI=1S/C13H17NO3S/c15-18(16,12-4-2-1-3-5-12)14-8-6-13(7-9-14)10-17-11-13/h1-5H,6-11H2
InChIKeyGMUPHTFUZYGBAP-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.49
Rot. Bonds2

About 7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane

7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane (PubChem CID 97399392) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane
PubChem CID97399392
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CC1)COC2
InChIInChI=1S/C13H17NO3S/c15-18(16,12-4-2-1-3-5-12)14-8-6-13(7-9-14)10-17-11-13/h1-5H,6-11H2
InChIKeyGMUPHTFUZYGBAP-UHFFFAOYSA-N
XLogP1.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecane;hydrochloride
CID 155843749
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CID 58376409
9-(benzenesulfonyl)-2-methyl-2,9-diazaspiro[5.5]undecane
CID 3233376
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
1-[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 97385294
1-(benzenesulfonyl)-3,3-dimethylpyrrolidine
CID 13427462
7-(benzenesulfonyl)-2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane
CID 3235527
2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane
CID 82038202
1,3-bis(benzenesulfonyl)imidazolidine
CID 1354022
1-(benzenesulfonyl)-4-methylazepan-4-ol
CID 107407045
9-(benzenesulfonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72915450
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonylaniline
CID 2052130

Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of 7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane (CID 97399392) is 7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane is O=S(=O)(c1ccccc1)N1CCC2(CC1)COC2.
What is the InChIKey of 7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane?
The InChIKey is GMUPHTFUZYGBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c15-18(16,12-4-2-1-3-5-12)14-8-6-13(7-9-14)10-17-11-13/h1-5H,6-11H2.
What are the key properties of 7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane?
7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane has a molecular weight of 267.35 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 97399392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).