(6R)-2-ethylsulfonyl-11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecane

C16H24FN3O3S — CID 97494739

IUPAC(6R)-2-ethylsulfonyl-11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCCS(=O)(=O)N1CCC[C@]2(COCCN(c3ncccc3F)C2)C1
InChIInChI=1S/C16H24FN3O3S/c1-2-24(21,22)20-8-4-6-16(12-20)11-19(9-10-23-13-16)15-14(17)5-3-7-18-15/h3,5,7H,2,4,6,8-13H2,1H3/t16-/m1/s1
InChIKeyWBJUYFSPNNACQS-MRXNPFEDSA-N
MW357.45 g/mol
LogP1.49
Rot. Bonds3

About (6R)-2-ethylsulfonyl-11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecane

(6R)-2-ethylsulfonyl-11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 97494739) has the molecular formula C16H24FN3O3S and a molecular weight of 357.45 g/mol. Its IUPAC name is (6R)-2-ethylsulfonyl-11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name(6R)-2-ethylsulfonyl-11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID97494739
Molecular FormulaC16H24FN3O3S
Molecular Weight357.45 g/mol
Exact Mass357.15
IUPAC Name(6R)-2-ethylsulfonyl-11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCCS(=O)(=O)N1CCC[C@]2(COCCN(c3ncccc3F)C2)C1
InChIInChI=1S/C16H24FN3O3S/c1-2-24(21,22)20-8-4-6-16(12-20)11-19(9-10-23-13-16)15-14(17)5-3-7-18-15/h3,5,7H,2,4,6,8-13H2,1H3/t16-/m1/s1
InChIKeyWBJUYFSPNNACQS-MRXNPFEDSA-N
XLogP1.49
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6R)-2-ethylsulfonyl-11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecane with MolForge

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Launch Full Analysis

Related Compounds

(1-fluorocyclopropyl)-[11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 131684903
2-ethylsulfonyl-11-phenyl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131643845
11-(3-fluoro-2-pyridinyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
CID 134070416
(6S)-2-ethylsulfonyl-11-(6-methylpyridazin-3-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494848
(6R)-11-(3-fluoro-2-pyridinyl)-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494732
(6R)-2-ethylsulfonyl-11-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494985
11-(3-fluoro-2-pyridinyl)-2-(oxan-4-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane;bis(2,2,2-trifluoroacetic acid)
CID 155863191
2-ethylsulfonyl-11-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 155855463
(5S)-2-ethylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 97450240
(6R)-2-methylsulfonyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494819
2-methylsulfonyl-11-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131645287
1-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]propan-1-one
CID 97398116

Frequently Asked Questions

What is the IUPAC name of (6R)-2-ethylsulfonyl-11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of (6R)-2-ethylsulfonyl-11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 97494739) is (6R)-2-ethylsulfonyl-11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for (6R)-2-ethylsulfonyl-11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for (6R)-2-ethylsulfonyl-11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecane is CCS(=O)(=O)N1CCC[C@]2(COCCN(c3ncccc3F)C2)C1.
What is the InChIKey of (6R)-2-ethylsulfonyl-11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is WBJUYFSPNNACQS-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24FN3O3S/c1-2-24(21,22)20-8-4-6-16(12-20)11-19(9-10-23-13-16)15-14(17)5-3-7-18-15/h3,5,7H,2,4,6,8-13H2,1H3/t16-/m1/s1.
What are the key properties of (6R)-2-ethylsulfonyl-11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
(6R)-2-ethylsulfonyl-11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 357.45 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-ethylsulfonyl-11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97494739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).