1-(1-ethylsulfonylpiperidin-3-yl)-N-methylmethanamine

C9H20N2O2S — CID 61203986

IUPAC1-(1-ethylsulfonylpiperidin-3-yl)-N-methylmethanamine
SMILESCCS(=O)(=O)N1CCCC(CNC)C1
InChIInChI=1S/C9H20N2O2S/c1-3-14(12,13)11-6-4-5-9(8-11)7-10-2/h9-10H,3-8H2,1-2H3
InChIKeyPQZBZBNUBVPMSY-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.27
Rot. Bonds4

About 1-(1-ethylsulfonylpiperidin-3-yl)-N-methylmethanamine

1-(1-ethylsulfonylpiperidin-3-yl)-N-methylmethanamine (PubChem CID 61203986) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-(1-ethylsulfonylpiperidin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-ethylsulfonylpiperidin-3-yl)-N-methylmethanamine
PubChem CID61203986
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name1-(1-ethylsulfonylpiperidin-3-yl)-N-methylmethanamine
SMILESCCS(=O)(=O)N1CCCC(CNC)C1
InChIInChI=1S/C9H20N2O2S/c1-3-14(12,13)11-6-4-5-9(8-11)7-10-2/h9-10H,3-8H2,1-2H3
InChIKeyPQZBZBNUBVPMSY-UHFFFAOYSA-N
XLogP0.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylsulfonylpiperidin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-ethylsulfonylpiperidin-3-yl)-N-methylmethanamine (CID 61203986) is 1-(1-ethylsulfonylpiperidin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-ethylsulfonylpiperidin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-ethylsulfonylpiperidin-3-yl)-N-methylmethanamine is CCS(=O)(=O)N1CCCC(CNC)C1.
What is the InChIKey of 1-(1-ethylsulfonylpiperidin-3-yl)-N-methylmethanamine?
The InChIKey is PQZBZBNUBVPMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-3-14(12,13)11-6-4-5-9(8-11)7-10-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-(1-ethylsulfonylpiperidin-3-yl)-N-methylmethanamine?
1-(1-ethylsulfonylpiperidin-3-yl)-N-methylmethanamine has a molecular weight of 220.34 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylsulfonylpiperidin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 61203986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).