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

C8H18N2O2S — CID 141212770

IUPAC2-(4-methylsulfonylpiperidin-2-yl)ethanamine
SMILESCS(=O)(=O)C1CCNC(CCN)C1
InChIInChI=1S/C8H18N2O2S/c1-13(11,12)8-3-5-10-7(6-8)2-4-9/h7-8,10H,2-6,9H2,1H3
InChIKeyIKMLNPQTTLKEEP-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.50
Rot. Bonds3

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

2-(4-methylsulfonylpiperidin-2-yl)ethanamine (PubChem CID 141212770) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(4-methylsulfonylpiperidin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methylsulfonylpiperidin-2-yl)ethanamine
PubChem CID141212770
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-(4-methylsulfonylpiperidin-2-yl)ethanamine
SMILESCS(=O)(=O)C1CCNC(CCN)C1
InChIInChI=1S/C8H18N2O2S/c1-13(11,12)8-3-5-10-7(6-8)2-4-9/h7-8,10H,2-6,9H2,1H3
InChIKeyIKMLNPQTTLKEEP-UHFFFAOYSA-N
XLogP-0.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylpiperidin-2-yl)ethanamine?
The IUPAC name of 2-(4-methylsulfonylpiperidin-2-yl)ethanamine (CID 141212770) is 2-(4-methylsulfonylpiperidin-2-yl)ethanamine.
What is the SMILES notation for 2-(4-methylsulfonylpiperidin-2-yl)ethanamine?
The canonical SMILES for 2-(4-methylsulfonylpiperidin-2-yl)ethanamine is CS(=O)(=O)C1CCNC(CCN)C1.
What is the InChIKey of 2-(4-methylsulfonylpiperidin-2-yl)ethanamine?
The InChIKey is IKMLNPQTTLKEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-13(11,12)8-3-5-10-7(6-8)2-4-9/h7-8,10H,2-6,9H2,1H3.
What are the key properties of 2-(4-methylsulfonylpiperidin-2-yl)ethanamine?
2-(4-methylsulfonylpiperidin-2-yl)ethanamine has a molecular weight of 206.31 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylpiperidin-2-yl)ethanamine is sourced from PubChem (CID 141212770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).