2-[4-(thiolan-3-yl)piperazin-1-yl]ethanamine

C10H21N3S — CID 121201869

IUPAC2-[4-(thiolan-3-yl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(C2CCSC2)CC1
InChIInChI=1S/C10H21N3S/c11-2-3-12-4-6-13(7-5-12)10-1-8-14-9-10/h10H,1-9,11H2
InChIKeyOPHSDHJPLZZHIU-UHFFFAOYSA-N
MW215.37 g/mol
LogP0.07
Rot. Bonds3

About 2-[4-(thiolan-3-yl)piperazin-1-yl]ethanamine

2-[4-(thiolan-3-yl)piperazin-1-yl]ethanamine (PubChem CID 121201869) has the molecular formula C10H21N3S and a molecular weight of 215.37 g/mol. Its IUPAC name is 2-[4-(thiolan-3-yl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(thiolan-3-yl)piperazin-1-yl]ethanamine
PubChem CID121201869
Molecular FormulaC10H21N3S
Molecular Weight215.37 g/mol
Exact Mass215.15
IUPAC Name2-[4-(thiolan-3-yl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(C2CCSC2)CC1
InChIInChI=1S/C10H21N3S/c11-2-3-12-4-6-13(7-5-12)10-1-8-14-9-10/h10H,1-9,11H2
InChIKeyOPHSDHJPLZZHIU-UHFFFAOYSA-N
XLogP0.07
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(thiolan-3-yl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(thiolan-3-yl)piperazin-1-yl]ethanamine (CID 121201869) is 2-[4-(thiolan-3-yl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(thiolan-3-yl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(thiolan-3-yl)piperazin-1-yl]ethanamine is NCCN1CCN(C2CCSC2)CC1.
What is the InChIKey of 2-[4-(thiolan-3-yl)piperazin-1-yl]ethanamine?
The InChIKey is OPHSDHJPLZZHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3S/c11-2-3-12-4-6-13(7-5-12)10-1-8-14-9-10/h10H,1-9,11H2.
What are the key properties of 2-[4-(thiolan-3-yl)piperazin-1-yl]ethanamine?
2-[4-(thiolan-3-yl)piperazin-1-yl]ethanamine has a molecular weight of 215.37 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(thiolan-3-yl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 121201869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).