2-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]oxyethanamine

C9H20N2O5S2 — CID 82842497

IUPAC2-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]oxyethanamine
SMILESCS(=O)(=O)CS(=O)(=O)N1CCC(OCCN)CC1
InChIInChI=1S/C9H20N2O5S2/c1-17(12,13)8-18(14,15)11-5-2-9(3-6-11)16-7-4-10/h9H,2-8,10H2,1H3
InChIKeyDAXRHOJQKWTZBR-UHFFFAOYSA-N
MW300.40 g/mol
LogP-1.24
Rot. Bonds6

About 2-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]oxyethanamine

2-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]oxyethanamine (PubChem CID 82842497) has the molecular formula C9H20N2O5S2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]oxyethanamine.

Molecular Properties

Compound Name2-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]oxyethanamine
PubChem CID82842497
Molecular FormulaC9H20N2O5S2
Molecular Weight300.40 g/mol
Exact Mass300.08
IUPAC Name2-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]oxyethanamine
SMILESCS(=O)(=O)CS(=O)(=O)N1CCC(OCCN)CC1
InChIInChI=1S/C9H20N2O5S2/c1-17(12,13)8-18(14,15)11-5-2-9(3-6-11)16-7-4-10/h9H,2-8,10H2,1H3
InChIKeyDAXRHOJQKWTZBR-UHFFFAOYSA-N
XLogP-1.24
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]oxyethanamine?
The IUPAC name of 2-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]oxyethanamine (CID 82842497) is 2-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]oxyethanamine.
What is the SMILES notation for 2-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]oxyethanamine?
The canonical SMILES for 2-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]oxyethanamine is CS(=O)(=O)CS(=O)(=O)N1CCC(OCCN)CC1.
What is the InChIKey of 2-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]oxyethanamine?
The InChIKey is DAXRHOJQKWTZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O5S2/c1-17(12,13)8-18(14,15)11-5-2-9(3-6-11)16-7-4-10/h9H,2-8,10H2,1H3.
What are the key properties of 2-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]oxyethanamine?
2-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]oxyethanamine has a molecular weight of 300.40 g/mol, XLogP of -1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]oxyethanamine is sourced from PubChem (CID 82842497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).