4-(2-methoxyethyl)-8-(2-methoxy-4-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane

C19H29NO5S — CID 133140359

IUPAC4-(2-methoxyethyl)-8-(2-methoxy-4-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
SMILESCOCCC1CCOC12CCN(S(=O)(=O)c1ccc(C)cc1OC)CC2
InChIInChI=1S/C19H29NO5S/c1-15-4-5-18(17(14-15)24-3)26(21,22)20-10-8-19(9-11-20)16(6-12-23-2)7-13-25-19/h4-5,14,16H,6-13H2,1-3H3
InChIKeyVHIHJIVJUHZMBG-UHFFFAOYSA-N
MW383.51 g/mol
LogP2.60
Rot. Bonds6

About 4-(2-methoxyethyl)-8-(2-methoxy-4-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane

4-(2-methoxyethyl)-8-(2-methoxy-4-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 133140359) has the molecular formula C19H29NO5S and a molecular weight of 383.51 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-8-(2-methoxy-4-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name4-(2-methoxyethyl)-8-(2-methoxy-4-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
PubChem CID133140359
Molecular FormulaC19H29NO5S
Molecular Weight383.51 g/mol
Exact Mass383.18
IUPAC Name4-(2-methoxyethyl)-8-(2-methoxy-4-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
SMILESCOCCC1CCOC12CCN(S(=O)(=O)c1ccc(C)cc1OC)CC2
InChIInChI=1S/C19H29NO5S/c1-15-4-5-18(17(14-15)24-3)26(21,22)20-10-8-19(9-11-20)16(6-12-23-2)7-13-25-19/h4-5,14,16H,6-13H2,1-3H3
InChIKeyVHIHJIVJUHZMBG-UHFFFAOYSA-N
XLogP2.60
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2-methoxyethyl)-8-(2-methoxy-4-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane 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

(4S)-8-(2-fluorophenyl)sulfonyl-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124796749
(4R)-8-(2-chlorophenyl)sulfonyl-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124870257
1'-(2-methoxy-4-methylphenyl)sulfonylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 135110541
(3aR,7aS)-3a-(methoxymethyl)-5-(2-methoxy-4-methylphenyl)sulfonyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
CID 124808067
1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 39730617
(3R,4S)-1-(2-methoxy-4-methylphenyl)sulfonyl-3,4-dimethylpiperidin-4-ol
CID 72905567
9-(2-methoxy-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90510529
(3S,4S)-4-[(dimethylamino)methyl]-1-(2-methoxy-4-methylphenyl)sulfonylpiperidin-3-ol
CID 131898784
(4R,5S)-4-methoxy-7-(2-methoxy-4-methylphenyl)sulfonyl-7-azaspiro[4.5]decane
CID 135108128
4-(2-methoxyethyl)-2-(2-methoxy-4-methylphenyl)sulfonyl-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
CID 131695827
1-(2-methoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1143543
8-methylsulfonyl-4-[2-(pyridin-4-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane
CID 133137089

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-8-(2-methoxy-4-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 4-(2-methoxyethyl)-8-(2-methoxy-4-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane (CID 133140359) is 4-(2-methoxyethyl)-8-(2-methoxy-4-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 4-(2-methoxyethyl)-8-(2-methoxy-4-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 4-(2-methoxyethyl)-8-(2-methoxy-4-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane is COCCC1CCOC12CCN(S(=O)(=O)c1ccc(C)cc1OC)CC2.
What is the InChIKey of 4-(2-methoxyethyl)-8-(2-methoxy-4-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is VHIHJIVJUHZMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO5S/c1-15-4-5-18(17(14-15)24-3)26(21,22)20-10-8-19(9-11-20)16(6-12-23-2)7-13-25-19/h4-5,14,16H,6-13H2,1-3H3.
What are the key properties of 4-(2-methoxyethyl)-8-(2-methoxy-4-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane?
4-(2-methoxyethyl)-8-(2-methoxy-4-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 383.51 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-8-(2-methoxy-4-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 133140359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).