N,4-dimethylpiperazine-1-carbothioamide

C7H15N3S — CID 859055

IUPACN,4-dimethylpiperazine-1-carbothioamide
SMILESCNC(=S)N1CCN(C)CC1
InChIInChI=1S/C7H15N3S/c1-8-7(11)10-5-3-9(2)4-6-10/h3-6H2,1-2H3,(H,8,11)
InChIKeyVFIQPHIYQWWLGJ-UHFFFAOYSA-N
MW173.28 g/mol
LogP-0.26
Rot. Bonds

About N,4-dimethylpiperazine-1-carbothioamide

N,4-dimethylpiperazine-1-carbothioamide (PubChem CID 859055) has the molecular formula C7H15N3S and a molecular weight of 173.28 g/mol. Its IUPAC name is N,4-dimethylpiperazine-1-carbothioamide.

Molecular Properties

Compound NameN,4-dimethylpiperazine-1-carbothioamide
PubChem CID859055
Molecular FormulaC7H15N3S
Molecular Weight173.28 g/mol
Exact Mass173.10
IUPAC NameN,4-dimethylpiperazine-1-carbothioamide
SMILESCNC(=S)N1CCN(C)CC1
InChIInChI=1S/C7H15N3S/c1-8-7(11)10-5-3-9(2)4-6-10/h3-6H2,1-2H3,(H,8,11)
InChIKeyVFIQPHIYQWWLGJ-UHFFFAOYSA-N
XLogP-0.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethylpiperazine-1-carbothioamide?
The IUPAC name of N,4-dimethylpiperazine-1-carbothioamide (CID 859055) is N,4-dimethylpiperazine-1-carbothioamide.
What is the SMILES notation for N,4-dimethylpiperazine-1-carbothioamide?
The canonical SMILES for N,4-dimethylpiperazine-1-carbothioamide is CNC(=S)N1CCN(C)CC1.
What is the InChIKey of N,4-dimethylpiperazine-1-carbothioamide?
The InChIKey is VFIQPHIYQWWLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3S/c1-8-7(11)10-5-3-9(2)4-6-10/h3-6H2,1-2H3,(H,8,11).
What are the key properties of N,4-dimethylpiperazine-1-carbothioamide?
N,4-dimethylpiperazine-1-carbothioamide has a molecular weight of 173.28 g/mol, XLogP of -0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethylpiperazine-1-carbothioamide is sourced from PubChem (CID 859055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).