(4R)-8-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C16H24N4O5S — CID 97205339

IUPAC(4R)-8-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCCn1cc(S(=O)(=O)N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)c(C)n1
InChIInChI=1S/C16H24N4O5S/c1-4-19-10-13(11(2)17-19)26(24,25)20-7-5-16(6-8-20)12(15(22)23)9-14(21)18(16)3/h10,12H,4-9H2,1-3H3,(H,22,23)/t12-/m0/s1
InChIKeyHZPDOOFDKFITQT-LBPRGKRZSA-N
MW384.46 g/mol
LogP0.30
Rot. Bonds4

About (4R)-8-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

(4R)-8-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 97205339) has the molecular formula C16H24N4O5S and a molecular weight of 384.46 g/mol. Its IUPAC name is (4R)-8-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-8-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID97205339
Molecular FormulaC16H24N4O5S
Molecular Weight384.46 g/mol
Exact Mass384.15
IUPAC Name(4R)-8-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCCn1cc(S(=O)(=O)N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)c(C)n1
InChIInChI=1S/C16H24N4O5S/c1-4-19-10-13(11(2)17-19)26(24,25)20-7-5-16(6-8-20)12(15(22)23)9-14(21)18(16)3/h10,12H,4-9H2,1-3H3,(H,22,23)/t12-/m0/s1
InChIKeyHZPDOOFDKFITQT-LBPRGKRZSA-N
XLogP0.30
TPSA112.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-8-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid 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

8-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72916407
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
CID 17022514
cyclobutyl-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 138386749
1-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(5-methyl-3-nitropyrazol-1-yl)propan-1-one
CID 19560308
(4S)-8-(3-chloro-2-pyridinyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97194960
(4R)-8-(3-chloro-2-pyridinyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97194961
(3S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide
CID 7026078
1-methyl-2-oxo-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72905356
1-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 19560260
(1,5-dimethyl-4-nitropyrazol-3-yl)-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19279392
8-[4-[ethyl(methyl)amino]pyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72882839
1-(2,5-dimethylphenyl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
CID 17301236

Frequently Asked Questions

What is the IUPAC name of (4R)-8-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of (4R)-8-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 97205339) is (4R)-8-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for (4R)-8-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for (4R)-8-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CCn1cc(S(=O)(=O)N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)c(C)n1.
What is the InChIKey of (4R)-8-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is HZPDOOFDKFITQT-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N4O5S/c1-4-19-10-13(11(2)17-19)26(24,25)20-7-5-16(6-8-20)12(15(22)23)9-14(21)18(16)3/h10,12H,4-9H2,1-3H3,(H,22,23)/t12-/m0/s1.
What are the key properties of (4R)-8-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
(4R)-8-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 384.46 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 97205339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).