1-(1-methylsulfonylpiperidin-4-yl)ethanamine

C8H18N2O2S — CID 63596040

IUPAC1-(1-methylsulfonylpiperidin-4-yl)ethanamine
SMILESCC(N)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H18N2O2S/c1-7(9)8-3-5-10(6-4-8)13(2,11)12/h7-8H,3-6,9H2,1-2H3
InChIKeyPJOAYCNIQKFZHB-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.01
Rot. Bonds2

About 1-(1-methylsulfonylpiperidin-4-yl)ethanamine

1-(1-methylsulfonylpiperidin-4-yl)ethanamine (PubChem CID 63596040) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-(1-methylsulfonylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1-methylsulfonylpiperidin-4-yl)ethanamine
PubChem CID63596040
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name1-(1-methylsulfonylpiperidin-4-yl)ethanamine
SMILESCC(N)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H18N2O2S/c1-7(9)8-3-5-10(6-4-8)13(2,11)12/h7-8H,3-6,9H2,1-2H3
InChIKeyPJOAYCNIQKFZHB-UHFFFAOYSA-N
XLogP0.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpiperidin-4-yl)ethanamine?
The IUPAC name of 1-(1-methylsulfonylpiperidin-4-yl)ethanamine (CID 63596040) is 1-(1-methylsulfonylpiperidin-4-yl)ethanamine.
What is the SMILES notation for 1-(1-methylsulfonylpiperidin-4-yl)ethanamine?
The canonical SMILES for 1-(1-methylsulfonylpiperidin-4-yl)ethanamine is CC(N)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-(1-methylsulfonylpiperidin-4-yl)ethanamine?
The InChIKey is PJOAYCNIQKFZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-7(9)8-3-5-10(6-4-8)13(2,11)12/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 1-(1-methylsulfonylpiperidin-4-yl)ethanamine?
1-(1-methylsulfonylpiperidin-4-yl)ethanamine has a molecular weight of 206.31 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 63596040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).