2-(4-chlorophenyl)sulfonyl-1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)ethanone

C18H24ClNO4S — CID 136534764

IUPAC2-(4-chlorophenyl)sulfonyl-1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)ethanone
SMILESCC1(C)CN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC2(CCCC2)O1
InChIInChI=1S/C18H24ClNO4S/c1-17(2)12-20(13-18(24-17)9-3-4-10-18)16(21)11-25(22,23)15-7-5-14(19)6-8-15/h5-8H,3-4,9-13H2,1-2H3
InChIKeyGMVRQAISRJOGHD-UHFFFAOYSA-N
MW385.91 g/mol
LogP3.06
Rot. Bonds3

About 2-(4-chlorophenyl)sulfonyl-1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)ethanone

2-(4-chlorophenyl)sulfonyl-1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)ethanone (PubChem CID 136534764) has the molecular formula C18H24ClNO4S and a molecular weight of 385.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)ethanone
PubChem CID136534764
Molecular FormulaC18H24ClNO4S
Molecular Weight385.91 g/mol
Exact Mass385.11
IUPAC Name2-(4-chlorophenyl)sulfonyl-1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)ethanone
SMILESCC1(C)CN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC2(CCCC2)O1
InChIInChI=1S/C18H24ClNO4S/c1-17(2)12-20(13-18(24-17)9-3-4-10-18)16(21)11-25(22,23)15-7-5-14(19)6-8-15/h5-8H,3-4,9-13H2,1-2H3
InChIKeyGMVRQAISRJOGHD-UHFFFAOYSA-N
XLogP3.06
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.91
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)sulfonyl-1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)ethanone with MolForge

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Related Compounds

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-chlorophenyl)sulfonylethanone;hydrochloride
CID 120818733
2-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)ethanone
CID 78761127
1-[2-(4-chlorophenyl)sulfonylacetyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119259327
2-(4-chlorophenyl)sulfonyl-1-(3-methylpiperidin-1-yl)ethanone
CID 112779660
2-(4-chlorophenyl)sulfonyl-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119648007
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(4-chlorophenyl)sulfonylethanone
CID 124612046
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(4-chlorophenyl)sulfonylethanone
CID 125119704
2-(4-chlorophenyl)sulfonyl-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone
CID 24559671
(6S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2,2,6-trimethylmorpholine-4-carboxamide
CID 95137726
2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone
CID 56731899
calcium 2-(4-chlorophenyl)sulfonylacetate
CID 18466443
1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(4-chlorophenyl)sulfonylethanone
CID 124692004

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)ethanone (CID 136534764) is 2-(4-chlorophenyl)sulfonyl-1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)ethanone is CC1(C)CN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC2(CCCC2)O1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)ethanone?
The InChIKey is GMVRQAISRJOGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO4S/c1-17(2)12-20(13-18(24-17)9-3-4-10-18)16(21)11-25(22,23)15-7-5-14(19)6-8-15/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)ethanone?
2-(4-chlorophenyl)sulfonyl-1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)ethanone has a molecular weight of 385.91 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)ethanone is sourced from PubChem (CID 136534764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).