2-(1-methylsulfonylpiperidin-4-yl)ethanamine

C8H18N2O2S — CID 17221545

IUPAC2-(1-methylsulfonylpiperidin-4-yl)ethanamine
SMILESCS(=O)(=O)N1CCC(CCN)CC1
InChIInChI=1S/C8H18N2O2S/c1-13(11,12)10-6-3-8(2-5-9)4-7-10/h8H,2-7,9H2,1H3
InChIKeyPRIVWFCRJFHMEF-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.01
Rot. Bonds3

About 2-(1-methylsulfonylpiperidin-4-yl)ethanamine

2-(1-methylsulfonylpiperidin-4-yl)ethanamine (PubChem CID 17221545) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(1-methylsulfonylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-methylsulfonylpiperidin-4-yl)ethanamine
PubChem CID17221545
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-(1-methylsulfonylpiperidin-4-yl)ethanamine
SMILESCS(=O)(=O)N1CCC(CCN)CC1
InChIInChI=1S/C8H18N2O2S/c1-13(11,12)10-6-3-8(2-5-9)4-7-10/h8H,2-7,9H2,1H3
InChIKeyPRIVWFCRJFHMEF-UHFFFAOYSA-N
XLogP0.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 2-(1-methylsulfonylpiperidin-4-yl)ethanamine?
The IUPAC name of 2-(1-methylsulfonylpiperidin-4-yl)ethanamine (CID 17221545) is 2-(1-methylsulfonylpiperidin-4-yl)ethanamine.
What is the SMILES notation for 2-(1-methylsulfonylpiperidin-4-yl)ethanamine?
The canonical SMILES for 2-(1-methylsulfonylpiperidin-4-yl)ethanamine is CS(=O)(=O)N1CCC(CCN)CC1.
What is the InChIKey of 2-(1-methylsulfonylpiperidin-4-yl)ethanamine?
The InChIKey is PRIVWFCRJFHMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-13(11,12)10-6-3-8(2-5-9)4-7-10/h8H,2-7,9H2,1H3.
What are the key properties of 2-(1-methylsulfonylpiperidin-4-yl)ethanamine?
2-(1-methylsulfonylpiperidin-4-yl)ethanamine has a molecular weight of 206.31 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 17221545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).