2-(4-methylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanamine

C11H19N3O2S2 — CID 115287841

IUPAC2-(4-methylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanamine
SMILESCS(=O)(=O)N1CCN(CC(N)c2cccs2)CC1
InChIInChI=1S/C11H19N3O2S2/c1-18(15,16)14-6-4-13(5-7-14)9-10(12)11-3-2-8-17-11/h2-3,8,10H,4-7,9,12H2,1H3
InChIKeyUGOYNAXPRZUERA-UHFFFAOYSA-N
MW289.43 g/mol
LogP0.33
Rot. Bonds4

About 2-(4-methylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanamine

2-(4-methylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanamine (PubChem CID 115287841) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2-(4-methylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(4-methylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanamine
PubChem CID115287841
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC Name2-(4-methylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanamine
SMILESCS(=O)(=O)N1CCN(CC(N)c2cccs2)CC1
InChIInChI=1S/C11H19N3O2S2/c1-18(15,16)14-6-4-13(5-7-14)9-10(12)11-3-2-8-17-11/h2-3,8,10H,4-7,9,12H2,1H3
InChIKeyUGOYNAXPRZUERA-UHFFFAOYSA-N
XLogP0.33
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanamine?
The IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanamine (CID 115287841) is 2-(4-methylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(4-methylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-(4-methylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanamine is CS(=O)(=O)N1CCN(CC(N)c2cccs2)CC1.
What is the InChIKey of 2-(4-methylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanamine?
The InChIKey is UGOYNAXPRZUERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-18(15,16)14-6-4-13(5-7-14)9-10(12)11-3-2-8-17-11/h2-3,8,10H,4-7,9,12H2,1H3.
What are the key properties of 2-(4-methylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanamine?
2-(4-methylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanamine has a molecular weight of 289.43 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 115287841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).