8-(1-ethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one

C13H20N4O3S — CID 92590154

IUPAC8-(1-ethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCCn1cc(S(=O)(=O)N2CCC3(CC2)CNC(=O)C3)cn1
InChIInChI=1S/C13H20N4O3S/c1-2-16-9-11(8-15-16)21(19,20)17-5-3-13(4-6-17)7-12(18)14-10-13/h8-9H,2-7,10H2,1H3,(H,14,18)
InChIKeyAFPBSHINSHMRQK-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.19
Rot. Bonds3

About 8-(1-ethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one

8-(1-ethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 92590154) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is 8-(1-ethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(1-ethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID92590154
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC Name8-(1-ethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCCn1cc(S(=O)(=O)N2CCC3(CC2)CNC(=O)C3)cn1
InChIInChI=1S/C13H20N4O3S/c1-2-16-9-11(8-15-16)21(19,20)17-5-3-13(4-6-17)7-12(18)14-10-13/h8-9H,2-7,10H2,1H3,(H,14,18)
InChIKeyAFPBSHINSHMRQK-UHFFFAOYSA-N
XLogP0.19
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(cyclobutylmethyl)-2-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72935620
8-(1-Ethylpyrazol-4-ylsulfonyl)-2,8-diazaspiro[5.5]undec-3-EN-1-one
CID 110223832
(1S,11R)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199350
7-(cyclopropylmethyl)-2-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72851233
N-[[(3S,4R)-3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]acetamide
CID 91920924
1-[(1-ethyl-1{H}-pyrazol-4-yl)sulfonyl]tetrahydrospiro[piperidine-4,7'-pyrrolo[1,2-{a}]pyrazin]-1'(2'{H})-one
CID 91923664
5-{1-[(1-Ethyl-1H-pyrazol-4-YL)sulfonyl]piperidine-4-carbonyl}-1,5-diazacycloundecan-2-one
CID 110201741
9-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-2-isopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72869808
(5S)-7-(cyclopropylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 97114479
N-[(3S)-4,4-dimethyl-2-oxopyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide
CID 164637064
4,4-difluoro-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 120350375
4,4-difluoro-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidine-2-carboxamide
CID 120350376

Frequently Asked Questions

What is the IUPAC name of 8-(1-ethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(1-ethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one (CID 92590154) is 8-(1-ethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(1-ethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(1-ethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one is CCn1cc(S(=O)(=O)N2CCC3(CC2)CNC(=O)C3)cn1.
What is the InChIKey of 8-(1-ethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is AFPBSHINSHMRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-2-16-9-11(8-15-16)21(19,20)17-5-3-13(4-6-17)7-12(18)14-10-13/h8-9H,2-7,10H2,1H3,(H,14,18).
What are the key properties of 8-(1-ethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one?
8-(1-ethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 312.39 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-ethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 92590154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).