1-methyl-6-(piperidin-2-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine

C15H29N3O2S — CID 81198917

IUPAC1-methyl-6-(piperidin-2-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
SMILESCN1CCCC2CN(S(=O)(=O)CC3CCCCN3)CCC21
InChIInChI=1S/C15H29N3O2S/c1-17-9-4-5-13-11-18(10-7-15(13)17)21(19,20)12-14-6-2-3-8-16-14/h13-16H,2-12H2,1H3
InChIKeyBXSQVHDXBXQQRT-UHFFFAOYSA-N
MW315.48 g/mol
LogP0.87
Rot. Bonds3

About 1-methyl-6-(piperidin-2-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine

1-methyl-6-(piperidin-2-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine (PubChem CID 81198917) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is 1-methyl-6-(piperidin-2-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine.

Molecular Properties

Compound Name1-methyl-6-(piperidin-2-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
PubChem CID81198917
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC Name1-methyl-6-(piperidin-2-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
SMILESCN1CCCC2CN(S(=O)(=O)CC3CCCCN3)CCC21
InChIInChI=1S/C15H29N3O2S/c1-17-9-4-5-13-11-18(10-7-15(13)17)21(19,20)12-14-6-2-3-8-16-14/h13-16H,2-12H2,1H3
InChIKeyBXSQVHDXBXQQRT-UHFFFAOYSA-N
XLogP0.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-6-(piperidin-2-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine with MolForge

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Related Compounds

1-methyl-6-(piperidin-4-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81200204
1-methyl-6-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199542
N,N-diethyl-1-(piperidin-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 63540168
3-(methoxymethyl)-1-(piperidin-2-ylmethylsulfonyl)piperidine
CID 106587601
1-(piperidin-2-ylmethylsulfonyl)piperidine
CID 55151116
1,2,6-trimethyl-4-(piperidin-2-ylmethylsulfonyl)piperazine
CID 114537834
6-(2-chloroethylsulfonyl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81205615
2-(piperidin-2-ylmethylsulfonyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 63154862
1-methyl-6-methylsulfonyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81206466
2-[1-(piperidin-2-ylmethylsulfonyl)piperidin-3-yl]ethanol
CID 107227893
2-(pyrrolidin-2-ylmethylsulfonyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 63154863
4-(piperidin-2-ylmethylsulfonyl)piperazin-2-one
CID 54973565

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(piperidin-2-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine?
The IUPAC name of 1-methyl-6-(piperidin-2-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine (CID 81198917) is 1-methyl-6-(piperidin-2-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine.
What is the SMILES notation for 1-methyl-6-(piperidin-2-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine?
The canonical SMILES for 1-methyl-6-(piperidin-2-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine is CN1CCCC2CN(S(=O)(=O)CC3CCCCN3)CCC21.
What is the InChIKey of 1-methyl-6-(piperidin-2-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine?
The InChIKey is BXSQVHDXBXQQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-17-9-4-5-13-11-18(10-7-15(13)17)21(19,20)12-14-6-2-3-8-16-14/h13-16H,2-12H2,1H3.
What are the key properties of 1-methyl-6-(piperidin-2-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine?
1-methyl-6-(piperidin-2-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine has a molecular weight of 315.48 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(piperidin-2-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine is sourced from PubChem (CID 81198917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).