(8S)-2-(benzenesulfonyl)-8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octane

C14H19NO4S — CID 124796737

IUPAC(8S)-2-(benzenesulfonyl)-8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESCOC[C@@H]1CCOC12CN(S(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C14H19NO4S/c1-18-9-12-7-8-19-14(12)10-15(11-14)20(16,17)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3/t12-/m0/s1
InChIKeyTXRSDMGWJZPRHL-LBPRGKRZSA-N
MW297.38 g/mol
LogP1.11
Rot. Bonds4

About (8S)-2-(benzenesulfonyl)-8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octane

(8S)-2-(benzenesulfonyl)-8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octane (PubChem CID 124796737) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is (8S)-2-(benzenesulfonyl)-8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(8S)-2-(benzenesulfonyl)-8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octane
PubChem CID124796737
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name(8S)-2-(benzenesulfonyl)-8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESCOC[C@@H]1CCOC12CN(S(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C14H19NO4S/c1-18-9-12-7-8-19-14(12)10-15(11-14)20(16,17)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3/t12-/m0/s1
InChIKeyTXRSDMGWJZPRHL-LBPRGKRZSA-N
XLogP1.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (8S)-2-(benzenesulfonyl)-8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octane 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

1-(benzenesulfonyl)-4-(methoxymethyl)piperidine
CID 63999066
9-(benzenesulfonyl)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 118740784
2-(benzenesulfonyl)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155862897
2-(4-methylphenyl)sulfonyl-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155861040
(5S,9S)-7-(benzenesulfonyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane
CID 110156522
(8R)-2-ethylsulfonyl-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124895164
4-(benzenesulfonyl)-2,6-bis(methoxymethyl)-1-methylpiperazine
CID 67277826
(8S)-N,N-dimethyl-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide
CID 124805483
N,N-diethyl-2-[2-(4-methylphenyl)sulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethanamine;2,2,2-trifluoroacetic acid
CID 155863370
2-(4-methylphenyl)sulfonyl-8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155868706
8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane
CID 131692014
1-[2-(benzenesulfonyl)-3a-(methoxymethyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]ethanone
CID 171143599

Frequently Asked Questions

What is the IUPAC name of (8S)-2-(benzenesulfonyl)-8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of (8S)-2-(benzenesulfonyl)-8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octane (CID 124796737) is (8S)-2-(benzenesulfonyl)-8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for (8S)-2-(benzenesulfonyl)-8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for (8S)-2-(benzenesulfonyl)-8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octane is COC[C@@H]1CCOC12CN(S(=O)(=O)c1ccccc1)C2.
What is the InChIKey of (8S)-2-(benzenesulfonyl)-8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is TXRSDMGWJZPRHL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-18-9-12-7-8-19-14(12)10-15(11-14)20(16,17)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3/t12-/m0/s1.
What are the key properties of (8S)-2-(benzenesulfonyl)-8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octane?
(8S)-2-(benzenesulfonyl)-8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 297.38 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-(benzenesulfonyl)-8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 124796737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).