4,4-dimethyl-2-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine

C16H26N4O2S — CID 162864154

IUPAC4,4-dimethyl-2-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine
SMILESCC1(C)CN(S(C)(=O)=O)CC2CN(Cc3ccccn3)CCN21
InChIInChI=1S/C16H26N4O2S/c1-16(2)13-19(23(3,21)22)12-15-11-18(8-9-20(15)16)10-14-6-4-5-7-17-14/h4-7,15H,8-13H2,1-3H3
InChIKeyOIKCOHUJTRSCFI-UHFFFAOYSA-N
MW338.48 g/mol
LogP0.62
Rot. Bonds3

About 4,4-dimethyl-2-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine

4,4-dimethyl-2-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine (PubChem CID 162864154) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 4,4-dimethyl-2-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine.

Molecular Properties

Compound Name4,4-dimethyl-2-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine
PubChem CID162864154
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name4,4-dimethyl-2-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine
SMILESCC1(C)CN(S(C)(=O)=O)CC2CN(Cc3ccccn3)CCN21
InChIInChI=1S/C16H26N4O2S/c1-16(2)13-19(23(3,21)22)12-15-11-18(8-9-20(15)16)10-14-6-4-5-7-17-14/h4-7,15H,8-13H2,1-3H3
InChIKeyOIKCOHUJTRSCFI-UHFFFAOYSA-N
XLogP0.62
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,4-dimethyl-2-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine with MolForge

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Related Compounds

(9aS)-8-[(4-fluorophenyl)methyl]-4,4-dimethyl-2-methylsulfonyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine
CID 124876390
3-methylsulfonyl-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97450340
(8aR)-2-methyl-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537104
(6R)-8-methylsulfonyl-4-(pyridin-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97373142
1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylpiperazine
CID 134017693
2-ethylsulfonyl-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 97449549
2-[4,4-dimethyl-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetic acid
CID 117025535
1-(pyridin-2-ylmethyl)pyrrolidine-3-carbaldehyde
CID 102548691
[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 71644926
2-methylsulfonyl-11-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131645287
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421
9-methylsulfonyl-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 171695571

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine?
The IUPAC name of 4,4-dimethyl-2-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine (CID 162864154) is 4,4-dimethyl-2-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine.
What is the SMILES notation for 4,4-dimethyl-2-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine?
The canonical SMILES for 4,4-dimethyl-2-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine is CC1(C)CN(S(C)(=O)=O)CC2CN(Cc3ccccn3)CCN21.
What is the InChIKey of 4,4-dimethyl-2-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine?
The InChIKey is OIKCOHUJTRSCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-16(2)13-19(23(3,21)22)12-15-11-18(8-9-20(15)16)10-14-6-4-5-7-17-14/h4-7,15H,8-13H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine?
4,4-dimethyl-2-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine has a molecular weight of 338.48 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine is sourced from PubChem (CID 162864154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).