[(5R,9R)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone

C14H24N2O4S — CID 98896559

IUPAC[(5R,9R)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
SMILESCS(=O)(=O)N1CC[C@@]2(CCC[C@H]2C(=O)N2CCOCC2)C1
InChIInChI=1S/C14H24N2O4S/c1-21(18,19)16-6-5-14(11-16)4-2-3-12(14)13(17)15-7-9-20-10-8-15/h12H,2-11H2,1H3/t12-,14-/m0/s1
InChIKeyHBSFGHGTLBHAAG-JSGCOSHPSA-N
MW316.42 g/mol
LogP0.30
Rot. Bonds2

About [(5R,9R)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone

[(5R,9R)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone (PubChem CID 98896559) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is [(5R,9R)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(5R,9R)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
PubChem CID98896559
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name[(5R,9R)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
SMILESCS(=O)(=O)N1CC[C@@]2(CCC[C@H]2C(=O)N2CCOCC2)C1
InChIInChI=1S/C14H24N2O4S/c1-21(18,19)16-6-5-14(11-16)4-2-3-12(14)13(17)15-7-9-20-10-8-15/h12H,2-11H2,1H3/t12-,14-/m0/s1
InChIKeyHBSFGHGTLBHAAG-JSGCOSHPSA-N
XLogP0.30
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(5R,9S)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone
CID 124783436
[(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98897335
morpholin-4-yl-[2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonan-9-yl]methanone
CID 131697489
[(5R,9S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98895050
[2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 131645555
[(5R,9R)-2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98895994
morpholin-4-yl-[(5R,9R)-2-(pyridin-3-ylmethyl)-2-azaspiro[4.4]nonan-9-yl]methanone
CID 124787358
6-methylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide
CID 151058381
[8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone
CID 131641016
(5R,7R)-2-methylsulfonyl-7-(morpholin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155830110
[(1R,2R)-2-methylcyclopropyl]-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)methanone
CID 97392876
5-oxa-8-azaspiro[2.6]nonan-8-yl(spiro[2.4]heptan-2-yl)methanone
CID 127807974

Frequently Asked Questions

What is the IUPAC name of [(5R,9R)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(5R,9R)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone (CID 98896559) is [(5R,9R)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(5R,9R)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(5R,9R)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone is CS(=O)(=O)N1CC[C@@]2(CCC[C@H]2C(=O)N2CCOCC2)C1.
What is the InChIKey of [(5R,9R)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone?
The InChIKey is HBSFGHGTLBHAAG-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-21(18,19)16-6-5-14(11-16)4-2-3-12(14)13(17)15-7-9-20-10-8-15/h12H,2-11H2,1H3/t12-,14-/m0/s1.
What are the key properties of [(5R,9R)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone?
[(5R,9R)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone has a molecular weight of 316.42 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,9R)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 98896559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).