8-(2-methylpyrazol-3-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one

C12H18N4O3S — CID 104710180

IUPAC8-(2-methylpyrazol-3-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCn1nccc1S(=O)(=O)N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C12H18N4O3S/c1-15-11(2-5-14-15)20(18,19)16-6-3-12(4-7-16)8-10(17)13-9-12/h2,5H,3-4,6-9H2,1H3,(H,13,17)
InChIKeyMCJWNNQXJVNWCI-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.29
Rot. Bonds2

About 8-(2-methylpyrazol-3-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one

8-(2-methylpyrazol-3-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 104710180) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 8-(2-methylpyrazol-3-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(2-methylpyrazol-3-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID104710180
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name8-(2-methylpyrazol-3-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCn1nccc1S(=O)(=O)N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C12H18N4O3S/c1-15-11(2-5-14-15)20(18,19)16-6-3-12(4-7-16)8-10(17)13-9-12/h2,5H,3-4,6-9H2,1H3,(H,13,17)
InChIKeyMCJWNNQXJVNWCI-UHFFFAOYSA-N
XLogP-0.29
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-isopropyl-2-[(1-propyl-1H-pyrazol-5-yl)sulfonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72847978
2-[(1-ethyl-1H-pyrazol-5-yl)sulfonyl]-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one
CID 72906404
(5S)-7-(cyclopropylmethyl)-2-(2-ethylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 97149981
N-[(3S)-1-acetylpiperidin-3-yl]-2-propan-2-ylpyrazole-3-sulfonamide
CID 125442551
N-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-2-propan-2-ylpyrazole-3-sulfonamide
CID 164629019
(3S)-4-(2-methylpyrazol-3-yl)sulfonyl-3-propan-2-ylpiperazin-2-one
CID 164634207
8-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 65957760
(4R)-4-amino-N-methyl-1-[(1-propyl-1H-pyrazol-5-yl)sulfonyl]-L-prolinamide
CID 70706421
1-Methyl-4-(2-propylpyrazol-3-yl)sulfonyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70783497
(4S)-4-amino-N,N-diethyl-1-[(1-ethyl-1H-pyrazol-5-yl)sulfonyl]-L-prolinamide
CID 70788230
7-(cyclopropylmethyl)-2-[(1-ethyl-1H-pyrazol-5-yl)sulfonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72844150
7-(cyclobutylmethyl)-2-[(1-ethyl-1H-pyrazol-5-yl)sulfonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72855374

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylpyrazol-3-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(2-methylpyrazol-3-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one (CID 104710180) is 8-(2-methylpyrazol-3-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(2-methylpyrazol-3-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(2-methylpyrazol-3-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one is Cn1nccc1S(=O)(=O)N1CCC2(CC1)CNC(=O)C2.
What is the InChIKey of 8-(2-methylpyrazol-3-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is MCJWNNQXJVNWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-15-11(2-5-14-15)20(18,19)16-6-3-12(4-7-16)8-10(17)13-9-12/h2,5H,3-4,6-9H2,1H3,(H,13,17).
What are the key properties of 8-(2-methylpyrazol-3-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one?
8-(2-methylpyrazol-3-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 298.37 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpyrazol-3-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 104710180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).