2-(4-methylpiperazin-1-yl)sulfonylethanamine

C7H17N3O2S — CID 22692376

IUPAC2-(4-methylpiperazin-1-yl)sulfonylethanamine
SMILESCN1CCN(S(=O)(=O)CCN)CC1
InChIInChI=1S/C7H17N3O2S/c1-9-3-5-10(6-4-9)13(11,12)7-2-8/h2-8H2,1H3
InChIKeyOGZWPWSXFHWGTK-UHFFFAOYSA-N
MW207.30 g/mol
LogP-1.48
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)sulfonylethanamine

2-(4-methylpiperazin-1-yl)sulfonylethanamine (PubChem CID 22692376) has the molecular formula C7H17N3O2S and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)sulfonylethanamine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)sulfonylethanamine
PubChem CID22692376
Molecular FormulaC7H17N3O2S
Molecular Weight207.30 g/mol
Exact Mass207.10
IUPAC Name2-(4-methylpiperazin-1-yl)sulfonylethanamine
SMILESCN1CCN(S(=O)(=O)CCN)CC1
InChIInChI=1S/C7H17N3O2S/c1-9-3-5-10(6-4-9)13(11,12)7-2-8/h2-8H2,1H3
InChIKeyOGZWPWSXFHWGTK-UHFFFAOYSA-N
XLogP-1.48
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 5-1.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)sulfonylethanamine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)sulfonylethanamine (CID 22692376) is 2-(4-methylpiperazin-1-yl)sulfonylethanamine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)sulfonylethanamine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)sulfonylethanamine is CN1CCN(S(=O)(=O)CCN)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)sulfonylethanamine?
The InChIKey is OGZWPWSXFHWGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2S/c1-9-3-5-10(6-4-9)13(11,12)7-2-8/h2-8H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)sulfonylethanamine?
2-(4-methylpiperazin-1-yl)sulfonylethanamine has a molecular weight of 207.30 g/mol, XLogP of -1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)sulfonylethanamine is sourced from PubChem (CID 22692376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).