9-cyclopropyl-1-(3-methylphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one

C18H24N2O3S — CID 163314849

IUPAC9-cyclopropyl-1-(3-methylphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1cccc(S(=O)(=O)N2CCCC23CCCN(C2CC2)C3=O)c1
InChIInChI=1S/C18H24N2O3S/c1-14-5-2-6-16(13-14)24(22,23)20-12-4-10-18(20)9-3-11-19(17(18)21)15-7-8-15/h2,5-6,13,15H,3-4,7-12H2,1H3
InChIKeyNLAZITHCTBCOAG-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.30
Rot. Bonds3

About 9-cyclopropyl-1-(3-methylphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one

9-cyclopropyl-1-(3-methylphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 163314849) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 9-cyclopropyl-1-(3-methylphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-cyclopropyl-1-(3-methylphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID163314849
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name9-cyclopropyl-1-(3-methylphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1cccc(S(=O)(=O)N2CCCC23CCCN(C2CC2)C3=O)c1
InChIInChI=1S/C18H24N2O3S/c1-14-5-2-6-16(13-14)24(22,23)20-12-4-10-18(20)9-3-11-19(17(18)21)15-7-8-15/h2,5-6,13,15H,3-4,7-12H2,1H3
InChIKeyNLAZITHCTBCOAG-UHFFFAOYSA-N
XLogP2.30
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-cyclopropyl-1-[(3-methylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162626884
N-methyl-3-[(9-methyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]benzamide
CID 162630911
3-cyclopropylidene-8-(3-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 139027234
1-(2-chloro-5-methylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 163317759
2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110728239
1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine
CID 113074976
2-cyclopropyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110871844
4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine
CID 121187182
9-cyclopropyl-1-[(5-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162628253
2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110604689
1-[(2-ethylphenyl)methyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162631324
1-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546629

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-1-(3-methylphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-cyclopropyl-1-(3-methylphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one (CID 163314849) is 9-cyclopropyl-1-(3-methylphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-cyclopropyl-1-(3-methylphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-cyclopropyl-1-(3-methylphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one is Cc1cccc(S(=O)(=O)N2CCCC23CCCN(C2CC2)C3=O)c1.
What is the InChIKey of 9-cyclopropyl-1-(3-methylphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is NLAZITHCTBCOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-14-5-2-6-16(13-14)24(22,23)20-12-4-10-18(20)9-3-11-19(17(18)21)15-7-8-15/h2,5-6,13,15H,3-4,7-12H2,1H3.
What are the key properties of 9-cyclopropyl-1-(3-methylphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one?
9-cyclopropyl-1-(3-methylphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 348.47 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-1-(3-methylphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 163314849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).