(1,4-dimethylpiperazin-2-yl)methanethiol

C7H16N2S — CID 15318058

IUPAC(1,4-dimethylpiperazin-2-yl)methanethiol
SMILESCN1CCN(C)C(CS)C1
InChIInChI=1S/C7H16N2S/c1-8-3-4-9(2)7(5-8)6-10/h7,10H,3-6H2,1-2H3
InChIKeyWGSBDLDTLHHVCY-UHFFFAOYSA-N
MW160.29 g/mol
LogP0.16
Rot. Bonds1

About (1,4-dimethylpiperazin-2-yl)methanethiol

(1,4-dimethylpiperazin-2-yl)methanethiol (PubChem CID 15318058) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is (1,4-dimethylpiperazin-2-yl)methanethiol.

Molecular Properties

Compound Name(1,4-dimethylpiperazin-2-yl)methanethiol
PubChem CID15318058
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Name(1,4-dimethylpiperazin-2-yl)methanethiol
SMILESCN1CCN(C)C(CS)C1
InChIInChI=1S/C7H16N2S/c1-8-3-4-9(2)7(5-8)6-10/h7,10H,3-6H2,1-2H3
InChIKeyWGSBDLDTLHHVCY-UHFFFAOYSA-N
XLogP0.16
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1,4-dimethylpiperazin-2-yl)methanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylpiperazin-2-yl)methanethiol?
The IUPAC name of (1,4-dimethylpiperazin-2-yl)methanethiol (CID 15318058) is (1,4-dimethylpiperazin-2-yl)methanethiol.
What is the SMILES notation for (1,4-dimethylpiperazin-2-yl)methanethiol?
The canonical SMILES for (1,4-dimethylpiperazin-2-yl)methanethiol is CN1CCN(C)C(CS)C1.
What is the InChIKey of (1,4-dimethylpiperazin-2-yl)methanethiol?
The InChIKey is WGSBDLDTLHHVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-8-3-4-9(2)7(5-8)6-10/h7,10H,3-6H2,1-2H3.
What are the key properties of (1,4-dimethylpiperazin-2-yl)methanethiol?
(1,4-dimethylpiperazin-2-yl)methanethiol has a molecular weight of 160.29 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylpiperazin-2-yl)methanethiol is sourced from PubChem (CID 15318058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).