[(6S)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-2-ylmethanone

C15H21N3O5S — CID 97373153

IUPAC[(6S)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-2-ylmethanone
SMILESCS(=O)(=O)N1CCOC[C@]2(CN(C(=O)c3ccccn3)CCO2)C1
InChIInChI=1S/C15H21N3O5S/c1-24(20,21)18-7-8-22-12-15(11-18)10-17(6-9-23-15)14(19)13-4-2-3-5-16-13/h2-5H,6-12H2,1H3/t15-/m0/s1
InChIKeyIBMJYGHSORBOCN-HNNXBMFYSA-N
MW355.42 g/mol
LogP-0.42
Rot. Bonds2

About [(6S)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-2-ylmethanone

[(6S)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-2-ylmethanone (PubChem CID 97373153) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is [(6S)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(6S)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-2-ylmethanone
PubChem CID97373153
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC Name[(6S)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-2-ylmethanone
SMILESCS(=O)(=O)N1CCOC[C@]2(CN(C(=O)c3ccccn3)CCO2)C1
InChIInChI=1S/C15H21N3O5S/c1-24(20,21)18-7-8-22-12-15(11-18)10-17(6-9-23-15)14(19)13-4-2-3-5-16-13/h2-5H,6-12H2,1H3/t15-/m0/s1
InChIKeyIBMJYGHSORBOCN-HNNXBMFYSA-N
XLogP-0.42
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(6S)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-2-ylmethanone with MolForge

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Related Compounds

(8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155831962
[(6S)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1H-pyrrol-2-yl)methanone
CID 97398456
N-methyl-2-[4-(pyridine-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]acetamide
CID 134072875
furan-3-yl-[(6R)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 97373146
(6R)-8-methylsulfonyl-4-(pyridin-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97373142
(6R)-4-methylsulfonyl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97495133
[8-(1H-pyrazol-5-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-2-ylmethanone
CID 118742942
1-[(6R)-4-(pyrazine-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97415961
tert-butyl 4-(pyridine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 118570228
pyridin-2-yl-[(5R)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 97472293
1-[(6S)-4-(pyridin-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97495173
pyridin-2-yl-[(2R,5S)-2-(pyrrolidin-1-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone
CID 97385875

Frequently Asked Questions

What is the IUPAC name of [(6S)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(6S)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-2-ylmethanone (CID 97373153) is [(6S)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(6S)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(6S)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-2-ylmethanone is CS(=O)(=O)N1CCOC[C@]2(CN(C(=O)c3ccccn3)CCO2)C1.
What is the InChIKey of [(6S)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-2-ylmethanone?
The InChIKey is IBMJYGHSORBOCN-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-24(20,21)18-7-8-22-12-15(11-18)10-17(6-9-23-15)14(19)13-4-2-3-5-16-13/h2-5H,6-12H2,1H3/t15-/m0/s1.
What are the key properties of [(6S)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-2-ylmethanone?
[(6S)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-2-ylmethanone has a molecular weight of 355.42 g/mol, XLogP of -0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 97373153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).