(4R)-8-(2-chlorophenyl)sulfonyl-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decane

C18H26ClNO4S — CID 124870257

IUPAC(4R)-8-(2-chlorophenyl)sulfonyl-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCCOCC[C@@H]1CCOC12CCN(S(=O)(=O)c1ccccc1Cl)CC2
InChIInChI=1S/C18H26ClNO4S/c1-2-23-13-7-15-8-14-24-18(15)9-11-20(12-10-18)25(21,22)17-6-4-3-5-16(17)19/h3-6,15H,2,7-14H2,1H3/t15-/m1/s1
InChIKeyVWFGARDDPREXSJ-OAHLLOKOSA-N
MW387.93 g/mol
LogP3.33
Rot. Bonds6

About (4R)-8-(2-chlorophenyl)sulfonyl-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decane

(4R)-8-(2-chlorophenyl)sulfonyl-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 124870257) has the molecular formula C18H26ClNO4S and a molecular weight of 387.93 g/mol. Its IUPAC name is (4R)-8-(2-chlorophenyl)sulfonyl-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4R)-8-(2-chlorophenyl)sulfonyl-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID124870257
Molecular FormulaC18H26ClNO4S
Molecular Weight387.93 g/mol
Exact Mass387.13
IUPAC Name(4R)-8-(2-chlorophenyl)sulfonyl-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCCOCC[C@@H]1CCOC12CCN(S(=O)(=O)c1ccccc1Cl)CC2
InChIInChI=1S/C18H26ClNO4S/c1-2-23-13-7-15-8-14-24-18(15)9-11-20(12-10-18)25(21,22)17-6-4-3-5-16(17)19/h3-6,15H,2,7-14H2,1H3/t15-/m1/s1
InChIKeyVWFGARDDPREXSJ-OAHLLOKOSA-N
XLogP3.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.93
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4S)-8-(2-fluorophenyl)sulfonyl-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124796749
4-(2-methoxyethyl)-8-(2-methoxy-4-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
CID 133140359
(3-chloro-4-fluorophenyl)-[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 124870354
4-(2-ethoxyethyl)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 131678473
8-methylsulfonyl-4-[2-(pyridin-4-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane
CID 133137089
(4R)-8-methylsulfonyl-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124783917
[4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone
CID 131641705
9-(2-chlorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3766966
1-(2-chlorophenyl)sulfonyl-3-(ethoxymethyl)piperidine
CID 110418188
8-(3,5-dimethylphenyl)sulfonyl-4-[2-(pyridin-2-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155861400
2-(2-chlorophenyl)sulfonyl-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
CID 131677753
ethyl 4-(aminomethyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxylate
CID 70833458

Frequently Asked Questions

What is the IUPAC name of (4R)-8-(2-chlorophenyl)sulfonyl-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (4R)-8-(2-chlorophenyl)sulfonyl-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decane (CID 124870257) is (4R)-8-(2-chlorophenyl)sulfonyl-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (4R)-8-(2-chlorophenyl)sulfonyl-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (4R)-8-(2-chlorophenyl)sulfonyl-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decane is CCOCC[C@@H]1CCOC12CCN(S(=O)(=O)c1ccccc1Cl)CC2.
What is the InChIKey of (4R)-8-(2-chlorophenyl)sulfonyl-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is VWFGARDDPREXSJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26ClNO4S/c1-2-23-13-7-15-8-14-24-18(15)9-11-20(12-10-18)25(21,22)17-6-4-3-5-16(17)19/h3-6,15H,2,7-14H2,1H3/t15-/m1/s1.
What are the key properties of (4R)-8-(2-chlorophenyl)sulfonyl-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decane?
(4R)-8-(2-chlorophenyl)sulfonyl-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 387.93 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-(2-chlorophenyl)sulfonyl-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 124870257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).