(6R)-8-(4-methoxyphenyl)sulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one

C17H24N2O4S — CID 97495408

IUPAC(6R)-8-(4-methoxyphenyl)sulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@]3(CCCC(=O)N3C)C2)cc1
InChIInChI=1S/C17H24N2O4S/c1-18-16(20)5-3-10-17(18)11-4-12-19(13-17)24(21,22)15-8-6-14(23-2)7-9-15/h6-9H,3-5,10-13H2,1-2H3/t17-/m1/s1
InChIKeyPHCOCVSUXUIJAY-QGZVFWFLSA-N
MW352.46 g/mol
LogP1.86
Rot. Bonds3

About (6R)-8-(4-methoxyphenyl)sulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one

(6R)-8-(4-methoxyphenyl)sulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 97495408) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is (6R)-8-(4-methoxyphenyl)sulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name(6R)-8-(4-methoxyphenyl)sulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID97495408
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name(6R)-8-(4-methoxyphenyl)sulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@]3(CCCC(=O)N3C)C2)cc1
InChIInChI=1S/C17H24N2O4S/c1-18-16(20)5-3-10-17(18)11-4-12-19(13-17)24(21,22)15-8-6-14(23-2)7-9-15/h6-9H,3-5,10-13H2,1-2H3/t17-/m1/s1
InChIKeyPHCOCVSUXUIJAY-QGZVFWFLSA-N
XLogP1.86
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(3-fluoro-4-methylphenyl)sulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
CID 131640475
(6S)-8-cyclopropylsulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97373251
(5S)-9-(4-fluorophenyl)sulfonyl-1-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97484696
8-[2-(3-methoxyphenyl)acetyl]-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
CID 131662405
2-(4-methoxyphenyl)sulfonyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131649770
1-(4-methoxyphenyl)sulfonyl-3-methyl-1,3-diazinan-4-one
CID 174756924
ethene;1-(4-methoxyphenyl)sulfonylpiperidin-4-one
CID 67569957
1-(4-methoxyphenyl)sulfonyl-4-phenylazepan-4-ol
CID 25192455
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
(3S)-5-methoxy-1'-(4-methoxyphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103788
2-(4-fluorophenyl)sulfonyl-7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane
CID 118386146
2-(4-methoxyphenyl)sulfonyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane
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Frequently Asked Questions

What is the IUPAC name of (6R)-8-(4-methoxyphenyl)sulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of (6R)-8-(4-methoxyphenyl)sulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one (CID 97495408) is (6R)-8-(4-methoxyphenyl)sulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for (6R)-8-(4-methoxyphenyl)sulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for (6R)-8-(4-methoxyphenyl)sulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one is COc1ccc(S(=O)(=O)N2CCC[C@]3(CCCC(=O)N3C)C2)cc1.
What is the InChIKey of (6R)-8-(4-methoxyphenyl)sulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is PHCOCVSUXUIJAY-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-18-16(20)5-3-10-17(18)11-4-12-19(13-17)24(21,22)15-8-6-14(23-2)7-9-15/h6-9H,3-5,10-13H2,1-2H3/t17-/m1/s1.
What are the key properties of (6R)-8-(4-methoxyphenyl)sulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one?
(6R)-8-(4-methoxyphenyl)sulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one has a molecular weight of 352.46 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-(4-methoxyphenyl)sulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 97495408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).