1-methyl-6-methylsulfonyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine

C10H20N2O2S — CID 81206466

IUPAC1-methyl-6-methylsulfonyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
SMILESCN1CCCC2CN(S(C)(=O)=O)CCC21
InChIInChI=1S/C10H20N2O2S/c1-11-6-3-4-9-8-12(15(2,13)14)7-5-10(9)11/h9-10H,3-8H2,1-2H3
InChIKeyWOPLYPSVZQFQJB-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.36
Rot. Bonds1

About 1-methyl-6-methylsulfonyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine

1-methyl-6-methylsulfonyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine (PubChem CID 81206466) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-methyl-6-methylsulfonyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine.

Molecular Properties

Compound Name1-methyl-6-methylsulfonyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
PubChem CID81206466
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name1-methyl-6-methylsulfonyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
SMILESCN1CCCC2CN(S(C)(=O)=O)CCC21
InChIInChI=1S/C10H20N2O2S/c1-11-6-3-4-9-8-12(15(2,13)14)7-5-10(9)11/h9-10H,3-8H2,1-2H3
InChIKeyWOPLYPSVZQFQJB-UHFFFAOYSA-N
XLogP0.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-chloroethylsulfonyl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81205615
1-methyl-6-(piperidin-4-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81200204
4-methyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)sulfonyl]-3H-1,3-thiazol-2-one
CID 81199247
1-methyl-6-(piperidin-2-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81198917
1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbaldehyde
CID 81205443
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 73102563
1-methyl-6-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199542
6-(5-bromothiophen-2-yl)sulfonyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81200124
(4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 143862293
(4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 642630
[4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)sulfonyl]thiophen-2-yl]methanamine
CID 81195874
(4aS,7aS)-6-bromo-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 89020740

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-methylsulfonyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine?
The IUPAC name of 1-methyl-6-methylsulfonyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine (CID 81206466) is 1-methyl-6-methylsulfonyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine.
What is the SMILES notation for 1-methyl-6-methylsulfonyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine?
The canonical SMILES for 1-methyl-6-methylsulfonyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine is CN1CCCC2CN(S(C)(=O)=O)CCC21.
What is the InChIKey of 1-methyl-6-methylsulfonyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine?
The InChIKey is WOPLYPSVZQFQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-11-6-3-4-9-8-12(15(2,13)14)7-5-10(9)11/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-methyl-6-methylsulfonyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine?
1-methyl-6-methylsulfonyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine has a molecular weight of 232.35 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-methylsulfonyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine is sourced from PubChem (CID 81206466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).