2-(3-methylpiperidin-1-yl)sulfonylethanamine

C8H18N2O2S — CID 6484217

IUPAC2-(3-methylpiperidin-1-yl)sulfonylethanamine
SMILESCC1CCCN(S(=O)(=O)CCN)C1
InChIInChI=1S/C8H18N2O2S/c1-8-3-2-5-10(7-8)13(11,12)6-4-9/h8H,2-7,9H2,1H3
InChIKeyHDGAXXSZOQTDIE-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.01
Rot. Bonds3

About 2-(3-methylpiperidin-1-yl)sulfonylethanamine

2-(3-methylpiperidin-1-yl)sulfonylethanamine (PubChem CID 6484217) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)sulfonylethanamine.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)sulfonylethanamine
PubChem CID6484217
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-(3-methylpiperidin-1-yl)sulfonylethanamine
SMILESCC1CCCN(S(=O)(=O)CCN)C1
InChIInChI=1S/C8H18N2O2S/c1-8-3-2-5-10(7-8)13(11,12)6-4-9/h8H,2-7,9H2,1H3
InChIKeyHDGAXXSZOQTDIE-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-(3-methylpiperidin-1-yl)sulfonylethanamine?
The IUPAC name of 2-(3-methylpiperidin-1-yl)sulfonylethanamine (CID 6484217) is 2-(3-methylpiperidin-1-yl)sulfonylethanamine.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)sulfonylethanamine?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)sulfonylethanamine is CC1CCCN(S(=O)(=O)CCN)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)sulfonylethanamine?
The InChIKey is HDGAXXSZOQTDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-8-3-2-5-10(7-8)13(11,12)6-4-9/h8H,2-7,9H2,1H3.
What are the key properties of 2-(3-methylpiperidin-1-yl)sulfonylethanamine?
2-(3-methylpiperidin-1-yl)sulfonylethanamine 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-(3-methylpiperidin-1-yl)sulfonylethanamine is sourced from PubChem (CID 6484217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).