9-(benzenesulfonyl)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane

C17H25NO4S — CID 118740784

IUPAC9-(benzenesulfonyl)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane
SMILESCOCC1COCCC12CCN(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C17H25NO4S/c1-21-13-15-14-22-12-9-17(15)7-10-18(11-8-17)23(19,20)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3
InChIKeyQQRRPAFFTNCDSR-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.14
Rot. Bonds4

About 9-(benzenesulfonyl)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane

9-(benzenesulfonyl)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 118740784) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(benzenesulfonyl)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane
PubChem CID118740784
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Name9-(benzenesulfonyl)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane
SMILESCOCC1COCCC12CCN(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C17H25NO4S/c1-21-13-15-14-22-12-9-17(15)7-10-18(11-8-17)23(19,20)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3
InChIKeyQQRRPAFFTNCDSR-UHFFFAOYSA-N
XLogP2.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(benzenesulfonyl)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(methoxymethyl)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecane
CID 131650714
(5S)-5-(methoxymethyl)-9-[(2-methylphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 97475433
1-(benzenesulfonyl)-4-(methoxymethyl)piperidine
CID 63999066
2-(2,3-dihydro-1H-inden-2-yl)-1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 97418599
(8S)-2-(benzenesulfonyl)-8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124796737
1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methoxyphenyl)ethanone
CID 97418511
(5R)-9-methylsulfonyl-5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 97475976
(5S)-5-(methoxymethyl)-9-[(5-methylfuran-2-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 97418481
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide
CID 139008193
5-(methoxymethyl)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 155853740

Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-(benzenesulfonyl)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane (CID 118740784) is 9-(benzenesulfonyl)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(benzenesulfonyl)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-(benzenesulfonyl)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane is COCC1COCCC12CCN(S(=O)(=O)c1ccccc1)CC2.
What is the InChIKey of 9-(benzenesulfonyl)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is QQRRPAFFTNCDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-21-13-15-14-22-12-9-17(15)7-10-18(11-8-17)23(19,20)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3.
What are the key properties of 9-(benzenesulfonyl)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane?
9-(benzenesulfonyl)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 339.46 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 118740784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).