2,5-dimethylpiperazine;methanethiol

C7H18N2S — CID 170737896

IUPAC2,5-dimethylpiperazine;methanethiol
SMILESCC1CNC(C)CN1.CS
InChIInChI=1S/C6H14N2.CH4S/c1-5-3-8-6(2)4-7-5;1-2/h5-8H,3-4H2,1-2H3;2H,1H3
InChIKeyJVWSADSPWOFKMA-UHFFFAOYSA-N
MW162.30 g/mol
LogP0.50
Rot. Bonds

About 2,5-dimethylpiperazine;methanethiol

2,5-dimethylpiperazine;methanethiol (PubChem CID 170737896) has the molecular formula C7H18N2S and a molecular weight of 162.30 g/mol. Its IUPAC name is 2,5-dimethylpiperazine;methanethiol.

Molecular Properties

Compound Name2,5-dimethylpiperazine;methanethiol
PubChem CID170737896
Molecular FormulaC7H18N2S
Molecular Weight162.30 g/mol
Exact Mass162.12
IUPAC Name2,5-dimethylpiperazine;methanethiol
SMILESCC1CNC(C)CN1.CS
InChIInChI=1S/C6H14N2.CH4S/c1-5-3-8-6(2)4-7-5;1-2/h5-8H,3-4H2,1-2H3;2H,1H3
InChIKeyJVWSADSPWOFKMA-UHFFFAOYSA-N
XLogP0.50
TPSA24.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 50.50
H-Bond Donors ≤ 53
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 2,5-dimethylpiperazine;methanethiol?
The IUPAC name of 2,5-dimethylpiperazine;methanethiol (CID 170737896) is 2,5-dimethylpiperazine;methanethiol.
What is the SMILES notation for 2,5-dimethylpiperazine;methanethiol?
The canonical SMILES for 2,5-dimethylpiperazine;methanethiol is CC1CNC(C)CN1.CS.
What is the InChIKey of 2,5-dimethylpiperazine;methanethiol?
The InChIKey is JVWSADSPWOFKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.CH4S/c1-5-3-8-6(2)4-7-5;1-2/h5-8H,3-4H2,1-2H3;2H,1H3.
What are the key properties of 2,5-dimethylpiperazine;methanethiol?
2,5-dimethylpiperazine;methanethiol has a molecular weight of 162.30 g/mol, XLogP of 0.50, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpiperazine;methanethiol is sourced from PubChem (CID 170737896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).