1,6-dimethylpiperazine-2-thiol

C6H14N2S — CID 142071790

IUPAC1,6-dimethylpiperazine-2-thiol
SMILESCC1CNCC(S)N1C
InChIInChI=1S/C6H14N2S/c1-5-3-7-4-6(9)8(5)2/h5-7,9H,3-4H2,1-2H3
InChIKeyHUNLYLVORADROU-UHFFFAOYSA-N
MW146.26 g/mol
LogP0.17
Rot. Bonds

About 1,6-dimethylpiperazine-2-thiol

1,6-dimethylpiperazine-2-thiol (PubChem CID 142071790) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is 1,6-dimethylpiperazine-2-thiol.

Molecular Properties

Compound Name1,6-dimethylpiperazine-2-thiol
PubChem CID142071790
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC Name1,6-dimethylpiperazine-2-thiol
SMILESCC1CNCC(S)N1C
InChIInChI=1S/C6H14N2S/c1-5-3-7-4-6(9)8(5)2/h5-7,9H,3-4H2,1-2H3
InChIKeyHUNLYLVORADROU-UHFFFAOYSA-N
XLogP0.17
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylpiperazine-2-thiol?
The IUPAC name of 1,6-dimethylpiperazine-2-thiol (CID 142071790) is 1,6-dimethylpiperazine-2-thiol.
What is the SMILES notation for 1,6-dimethylpiperazine-2-thiol?
The canonical SMILES for 1,6-dimethylpiperazine-2-thiol is CC1CNCC(S)N1C.
What is the InChIKey of 1,6-dimethylpiperazine-2-thiol?
The InChIKey is HUNLYLVORADROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c1-5-3-7-4-6(9)8(5)2/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 1,6-dimethylpiperazine-2-thiol?
1,6-dimethylpiperazine-2-thiol has a molecular weight of 146.26 g/mol, XLogP of 0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylpiperazine-2-thiol is sourced from PubChem (CID 142071790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).