2-ethylsulfonyl-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane

C16H25N3O3S — CID 118743860

IUPAC2-ethylsulfonyl-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCCS(=O)(=O)N1CCCC2(COCCN(c3ccccn3)C2)C1
InChIInChI=1S/C16H25N3O3S/c1-2-23(20,21)19-9-5-7-16(13-19)12-18(10-11-22-14-16)15-6-3-4-8-17-15/h3-4,6,8H,2,5,7,9-14H2,1H3
InChIKeyRCGCWUGCDMNOHJ-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.35
Rot. Bonds3

About 2-ethylsulfonyl-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane

2-ethylsulfonyl-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 118743860) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-ethylsulfonyl-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name2-ethylsulfonyl-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID118743860
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name2-ethylsulfonyl-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCCS(=O)(=O)N1CCCC2(COCCN(c3ccccn3)C2)C1
InChIInChI=1S/C16H25N3O3S/c1-2-23(20,21)19-9-5-7-16(13-19)12-18(10-11-22-14-16)15-6-3-4-8-17-15/h3-4,6,8H,2,5,7,9-14H2,1H3
InChIKeyRCGCWUGCDMNOHJ-UHFFFAOYSA-N
XLogP1.35
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-6-(4-morpholinyl)-3-pyridinesulfonamide
CID 829845
4-(benzenesulfonyl)-1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97391247
1-(2-methoxyethyl)-4-methylsulfonyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97383581
4-ethylsulfonyl-1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97383582
4-cyclopropylsulfonyl-1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97383583
9-Propylsulfonyl-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450954
11-(3-Fluoropyridin-2-Yl)-8-Oxa-2,11-Diazaspiro[5.6]Dodecane
CID 118739184
4-Ethylsulfonyl-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118743534
4-Propylsulfonyl-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118743858
10-Ethylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118743872
10-Methylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118743874
10-Cyclopropylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118744270

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of 2-ethylsulfonyl-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 118743860) is 2-ethylsulfonyl-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 2-ethylsulfonyl-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 2-ethylsulfonyl-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane is CCS(=O)(=O)N1CCCC2(COCCN(c3ccccn3)C2)C1.
What is the InChIKey of 2-ethylsulfonyl-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is RCGCWUGCDMNOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-2-23(20,21)19-9-5-7-16(13-19)12-18(10-11-22-14-16)15-6-3-4-8-17-15/h3-4,6,8H,2,5,7,9-14H2,1H3.
What are the key properties of 2-ethylsulfonyl-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
2-ethylsulfonyl-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 339.46 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 118743860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).