[(5R,9S)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone

C14H24N2O3S — CID 124783436

IUPAC[(5R,9S)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone
SMILESCS(=O)(=O)N1CC[C@@]2(CCC[C@@H]2C(=O)N2CCCC2)C1
InChIInChI=1S/C14H24N2O3S/c1-20(18,19)16-10-7-14(11-16)6-4-5-12(14)13(17)15-8-2-3-9-15/h12H,2-11H2,1H3/t12-,14+/m1/s1
InChIKeyPEQVPDIQCOUBRZ-OCCSQVGLSA-N
MW300.42 g/mol
LogP1.06
Rot. Bonds2

About [(5R,9S)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone

[(5R,9S)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone (PubChem CID 124783436) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is [(5R,9S)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(5R,9S)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone
PubChem CID124783436
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name[(5R,9S)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone
SMILESCS(=O)(=O)N1CC[C@@]2(CCC[C@@H]2C(=O)N2CCCC2)C1
InChIInChI=1S/C14H24N2O3S/c1-20(18,19)16-10-7-14(11-16)6-4-5-12(14)13(17)15-8-2-3-9-15/h12H,2-11H2,1H3/t12-,14+/m1/s1
InChIKeyPEQVPDIQCOUBRZ-OCCSQVGLSA-N
XLogP1.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(5R,9S)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[(5R,9R)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98896559
cyclobutyl-[4-(1-methylsulfonylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110799325
azepan-1-yl-(1-methylsulfonylpiperidin-3-yl)methanone
CID 45153724
(3,3-dimethylpiperidin-1-yl)-(1-methylsulfonylpiperidin-3-yl)methanone
CID 70702941
[(1R,2R)-2-methylcyclopropyl]-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)methanone
CID 97392876
[(5R,9R)-2-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone
CID 124797033
6-methylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide
CID 151058381
1-[(3aS,6aS)-1'-methylsulfonyl-3a-(pyrrolidine-1-carbonyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-2-yl]ethanone
CID 97360312
pyrrolidin-1-yl-(2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decan-4-yl)methanone
CID 53183553
1-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone
CID 155872480
(2,2-dimethylcyclopentyl)-(4-hydroxypiperidin-1-yl)methanone
CID 104917952
[(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98897335

Frequently Asked Questions

What is the IUPAC name of [(5R,9S)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(5R,9S)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone (CID 124783436) is [(5R,9S)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(5R,9S)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(5R,9S)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone is CS(=O)(=O)N1CC[C@@]2(CCC[C@@H]2C(=O)N2CCCC2)C1.
What is the InChIKey of [(5R,9S)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is PEQVPDIQCOUBRZ-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-20(18,19)16-10-7-14(11-16)6-4-5-12(14)13(17)15-8-2-3-9-15/h12H,2-11H2,1H3/t12-,14+/m1/s1.
What are the key properties of [(5R,9S)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone?
[(5R,9S)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 300.42 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,9S)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 124783436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).