2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

C14H22N4O3S — CID 56740057

IUPAC2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC2(CCCN(C)C2=O)C1
InChIInChI=1S/C14H22N4O3S/c1-10-12(11(2)16-15-10)22(20,21)18-8-6-14(9-18)5-4-7-17(3)13(14)19/h4-9H2,1-3H3,(H,15,16)
InChIKeyODEFKZUWNWWWIL-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.66
Rot. Bonds2

About 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 56740057) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID56740057
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC2(CCCN(C)C2=O)C1
InChIInChI=1S/C14H22N4O3S/c1-10-12(11(2)16-15-10)22(20,21)18-8-6-14(9-18)5-4-7-17(3)13(14)19/h4-9H2,1-3H3,(H,15,16)
InChIKeyODEFKZUWNWWWIL-UHFFFAOYSA-N
XLogP0.66
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-7-(cyclobutylmethyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 95724261
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72861309
3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
CID 4736860
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methyl-1,4-diazepane
CID 16768219
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylsulfonylpiperazine
CID 60700150
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine-4-carboxylic acid
CID 63123861
(5S)-2,7-dimethyl-2,7-diazaspiro[4.5]decan-6-one;ethane;methane
CID 161052527
(5S)-2-(3-fluoro-4-methoxyphenyl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97143902
(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97139553
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-phenyl-4-pyrrolidin-1-ylpiperidine
CID 110637959
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,3-thiazolidine
CID 122332190
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,6-dimethylmorpholine
CID 16767831

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one (CID 56740057) is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC2(CCCN(C)C2=O)C1.
What is the InChIKey of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is ODEFKZUWNWWWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-10-12(11(2)16-15-10)22(20,21)18-8-6-14(9-18)5-4-7-17(3)13(14)19/h4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 326.42 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 56740057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).