3-(methoxymethyl)-1-(piperidin-2-ylmethylsulfonyl)piperidine

C13H26N2O3S — CID 106587601

IUPAC3-(methoxymethyl)-1-(piperidin-2-ylmethylsulfonyl)piperidine
SMILESCOCC1CCCN(S(=O)(=O)CC2CCCCN2)C1
InChIInChI=1S/C13H26N2O3S/c1-18-10-12-5-4-8-15(9-12)19(16,17)11-13-6-2-3-7-14-13/h12-14H,2-11H2,1H3
InChIKeySMASXZNRTJGUKN-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.82
Rot. Bonds5

About 3-(methoxymethyl)-1-(piperidin-2-ylmethylsulfonyl)piperidine

3-(methoxymethyl)-1-(piperidin-2-ylmethylsulfonyl)piperidine (PubChem CID 106587601) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-(piperidin-2-ylmethylsulfonyl)piperidine.

Molecular Properties

Compound Name3-(methoxymethyl)-1-(piperidin-2-ylmethylsulfonyl)piperidine
PubChem CID106587601
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name3-(methoxymethyl)-1-(piperidin-2-ylmethylsulfonyl)piperidine
SMILESCOCC1CCCN(S(=O)(=O)CC2CCCCN2)C1
InChIInChI=1S/C13H26N2O3S/c1-18-10-12-5-4-8-15(9-12)19(16,17)11-13-6-2-3-7-14-13/h12-14H,2-11H2,1H3
InChIKeySMASXZNRTJGUKN-UHFFFAOYSA-N
XLogP0.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(piperidin-2-ylmethylsulfonyl)piperidin-3-yl]ethanol
CID 107227893
1-(piperidin-2-ylmethylsulfonyl)piperidine
CID 55151116
2-(piperidin-2-ylmethylsulfonyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 63154862
1-methyl-6-(piperidin-2-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81198917
N,N-diethyl-1-(piperidin-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 63540168
2-(pyrrolidin-2-ylmethylsulfonyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 63154863
[1-(2-piperidin-2-ylethylsulfonyl)piperidin-3-yl]methanol
CID 60890880
1,2,6-trimethyl-4-(piperidin-2-ylmethylsulfonyl)piperazine
CID 114537834
1-cyclopropylsulfonyl-3-(methoxymethyl)piperidine
CID 121092342
3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropan-1-amine
CID 106586707
1-(3-chloropropylsulfonyl)-3-(methoxymethyl)piperidine
CID 106588259
3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropanoic acid
CID 106586181

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-(piperidin-2-ylmethylsulfonyl)piperidine?
The IUPAC name of 3-(methoxymethyl)-1-(piperidin-2-ylmethylsulfonyl)piperidine (CID 106587601) is 3-(methoxymethyl)-1-(piperidin-2-ylmethylsulfonyl)piperidine.
What is the SMILES notation for 3-(methoxymethyl)-1-(piperidin-2-ylmethylsulfonyl)piperidine?
The canonical SMILES for 3-(methoxymethyl)-1-(piperidin-2-ylmethylsulfonyl)piperidine is COCC1CCCN(S(=O)(=O)CC2CCCCN2)C1.
What is the InChIKey of 3-(methoxymethyl)-1-(piperidin-2-ylmethylsulfonyl)piperidine?
The InChIKey is SMASXZNRTJGUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-18-10-12-5-4-8-15(9-12)19(16,17)11-13-6-2-3-7-14-13/h12-14H,2-11H2,1H3.
What are the key properties of 3-(methoxymethyl)-1-(piperidin-2-ylmethylsulfonyl)piperidine?
3-(methoxymethyl)-1-(piperidin-2-ylmethylsulfonyl)piperidine has a molecular weight of 290.43 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-(piperidin-2-ylmethylsulfonyl)piperidine is sourced from PubChem (CID 106587601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).