8-methylsulfonyl-4-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C13H20N4O4S — CID 134072951

IUPAC8-methylsulfonyl-4-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCS(=O)(=O)N1CCOCC2(CN(c3cnccn3)CCO2)C1
InChIInChI=1S/C13H20N4O4S/c1-22(18,19)17-5-6-20-11-13(10-17)9-16(4-7-21-13)12-8-14-2-3-15-12/h2-3,8H,4-7,9-11H2,1H3
InChIKeyBDCGZOJUOGFHLU-UHFFFAOYSA-N
MW328.39 g/mol
LogP-0.66
Rot. Bonds2

About 8-methylsulfonyl-4-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

8-methylsulfonyl-4-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 134072951) has the molecular formula C13H20N4O4S and a molecular weight of 328.39 g/mol. Its IUPAC name is 8-methylsulfonyl-4-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name8-methylsulfonyl-4-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID134072951
Molecular FormulaC13H20N4O4S
Molecular Weight328.39 g/mol
Exact Mass328.12
IUPAC Name8-methylsulfonyl-4-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCS(=O)(=O)N1CCOCC2(CN(c3cnccn3)CCO2)C1
InChIInChI=1S/C13H20N4O4S/c1-22(18,19)17-5-6-20-11-13(10-17)9-16(4-7-21-13)12-8-14-2-3-15-12/h2-3,8H,4-7,9-11H2,1H3
InChIKeyBDCGZOJUOGFHLU-UHFFFAOYSA-N
XLogP-0.66
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(6R)-4-methylsulfonyl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97495133
(6R)-2-methylsulfonyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494819
4-(6-methoxypyrimidin-4-yl)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 131651483
8-methylsulfonyl-4-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 131650651
(6R)-4-ethylsulfonyl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97373125
ethane;4-pyrazin-2-ylmorpholine
CID 143018931
(6R)-8-methylsulfonyl-4-(pyridin-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97373142
(6S)-8-cyclopropylsulfonyl-4-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97398458
8-cyclopropylsulfonyl-4-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 118739220
[(6S)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-2-ylmethanone
CID 97373153
(6S)-8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372435
(6R)-4-(5-ethylpyrimidin-2-yl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396496

Frequently Asked Questions

What is the IUPAC name of 8-methylsulfonyl-4-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of 8-methylsulfonyl-4-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 134072951) is 8-methylsulfonyl-4-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for 8-methylsulfonyl-4-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for 8-methylsulfonyl-4-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is CS(=O)(=O)N1CCOCC2(CN(c3cnccn3)CCO2)C1.
What is the InChIKey of 8-methylsulfonyl-4-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is BDCGZOJUOGFHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4S/c1-22(18,19)17-5-6-20-11-13(10-17)9-16(4-7-21-13)12-8-14-2-3-15-12/h2-3,8H,4-7,9-11H2,1H3.
What are the key properties of 8-methylsulfonyl-4-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
8-methylsulfonyl-4-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 328.39 g/mol, XLogP of -0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfonyl-4-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 134072951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).