8-(2,4-dimethylphenyl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C18H24N2O5S — CID 72906878

IUPAC8-(2,4-dimethylphenyl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)c(C)c1
InChIInChI=1S/C18H24N2O5S/c1-12-4-5-15(13(2)10-12)26(24,25)20-8-6-18(7-9-20)14(17(22)23)11-16(21)19(18)3/h4-5,10,14H,6-9,11H2,1-3H3,(H,22,23)
InChIKeyPZGBUNRAIVAVKE-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.39
Rot. Bonds3

About 8-(2,4-dimethylphenyl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-(2,4-dimethylphenyl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72906878) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is 8-(2,4-dimethylphenyl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-(2,4-dimethylphenyl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72906878
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Name8-(2,4-dimethylphenyl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)c(C)c1
InChIInChI=1S/C18H24N2O5S/c1-12-4-5-15(13(2)10-12)26(24,25)20-8-6-18(7-9-20)14(17(22)23)11-16(21)19(18)3/h4-5,10,14H,6-9,11H2,1-3H3,(H,22,23)
InChIKeyPZGBUNRAIVAVKE-UHFFFAOYSA-N
XLogP1.39
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(2,4-dimethylphenyl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid with MolForge

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Related Compounds

1-methyl-8-[(3-methylphenyl)methylsulfonyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72939870
(4R)-8-[(2,4-dimethylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97208271
1-(2,4-dimethylphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 63123877
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 6465958
(4R)-8-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97202354
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799630
methyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818495
(4S)-8-[(3-carboxy-4-methoxyphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97190433
(4S)-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97191361
8-[(4-acetylphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72916923
4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721448

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethylphenyl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-(2,4-dimethylphenyl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72906878) is 8-(2,4-dimethylphenyl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-(2,4-dimethylphenyl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-(2,4-dimethylphenyl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is Cc1ccc(S(=O)(=O)N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)c(C)c1.
What is the InChIKey of 8-(2,4-dimethylphenyl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is PZGBUNRAIVAVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-12-4-5-15(13(2)10-12)26(24,25)20-8-6-18(7-9-20)14(17(22)23)11-16(21)19(18)3/h4-5,10,14H,6-9,11H2,1-3H3,(H,22,23).
What are the key properties of 8-(2,4-dimethylphenyl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-(2,4-dimethylphenyl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 380.47 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethylphenyl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72906878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).