N-methylpiperazine-1-carbothiohydrazide

C6H14N4S — CID 87548330

IUPACN-methylpiperazine-1-carbothiohydrazide
SMILESCN(N)C(=S)N1CCNCC1
InChIInChI=1S/C6H14N4S/c1-9(7)6(11)10-4-2-8-3-5-10/h8H,2-5,7H2,1H3
InChIKeyBALKQZDOPXNQQB-UHFFFAOYSA-N
MW174.27 g/mol
LogP-1.02
Rot. Bonds

About N-methylpiperazine-1-carbothiohydrazide

N-methylpiperazine-1-carbothiohydrazide (PubChem CID 87548330) has the molecular formula C6H14N4S and a molecular weight of 174.27 g/mol. Its IUPAC name is N-methylpiperazine-1-carbothiohydrazide.

Molecular Properties

Compound NameN-methylpiperazine-1-carbothiohydrazide
PubChem CID87548330
Molecular FormulaC6H14N4S
Molecular Weight174.27 g/mol
Exact Mass174.09
IUPAC NameN-methylpiperazine-1-carbothiohydrazide
SMILESCN(N)C(=S)N1CCNCC1
InChIInChI=1S/C6H14N4S/c1-9(7)6(11)10-4-2-8-3-5-10/h8H,2-5,7H2,1H3
InChIKeyBALKQZDOPXNQQB-UHFFFAOYSA-N
XLogP-1.02
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-3-(4-methylpiperazin-1-yl)thiourea
CID 886375
n-Ethylpiperazine-1-carbothioamide
CID 13077529
N-methylpiperazine-1-carbothioamide
CID 13843643
N,N-dimethylpiperazine-1-carbothioamide
CID 82280467
N,4-dimethylpiperazine-1-carbothiohydrazide
CID 126607554
Piperazine-1-carbothiohydrazide
CID 141683633
1-Ethyl-3-(4-methylpiperazin-4-ium-1-yl)thiourea
CID 7289695

Frequently Asked Questions

What is the IUPAC name of N-methylpiperazine-1-carbothiohydrazide?
The IUPAC name of N-methylpiperazine-1-carbothiohydrazide (CID 87548330) is N-methylpiperazine-1-carbothiohydrazide.
What is the SMILES notation for N-methylpiperazine-1-carbothiohydrazide?
The canonical SMILES for N-methylpiperazine-1-carbothiohydrazide is CN(N)C(=S)N1CCNCC1.
What is the InChIKey of N-methylpiperazine-1-carbothiohydrazide?
The InChIKey is BALKQZDOPXNQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4S/c1-9(7)6(11)10-4-2-8-3-5-10/h8H,2-5,7H2,1H3.
What are the key properties of N-methylpiperazine-1-carbothiohydrazide?
N-methylpiperazine-1-carbothiohydrazide has a molecular weight of 174.27 g/mol, XLogP of -1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpiperazine-1-carbothiohydrazide is sourced from PubChem (CID 87548330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).