4-methyl-N-propylpiperazine-1-carbothioamide

C9H19N3S — CID 3192029

IUPAC4-methyl-N-propylpiperazine-1-carbothioamide
SMILESCCCNC(=S)N1CCN(C)CC1
InChIInChI=1S/C9H19N3S/c1-3-4-10-9(13)12-7-5-11(2)6-8-12/h3-8H2,1-2H3,(H,10,13)
InChIKeyKVVQTSJMYQPSKH-UHFFFAOYSA-N
MW201.34 g/mol
LogP0.52
Rot. Bonds2

About 4-methyl-N-propylpiperazine-1-carbothioamide

4-methyl-N-propylpiperazine-1-carbothioamide (PubChem CID 3192029) has the molecular formula C9H19N3S and a molecular weight of 201.34 g/mol. Its IUPAC name is 4-methyl-N-propylpiperazine-1-carbothioamide.

Molecular Properties

Compound Name4-methyl-N-propylpiperazine-1-carbothioamide
PubChem CID3192029
Molecular FormulaC9H19N3S
Molecular Weight201.34 g/mol
Exact Mass201.13
IUPAC Name4-methyl-N-propylpiperazine-1-carbothioamide
SMILESCCCNC(=S)N1CCN(C)CC1
InChIInChI=1S/C9H19N3S/c1-3-4-10-9(13)12-7-5-11(2)6-8-12/h3-8H2,1-2H3,(H,10,13)
InChIKeyKVVQTSJMYQPSKH-UHFFFAOYSA-N
XLogP0.52
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 50.52
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 4-methyl-N-propylpiperazine-1-carbothioamide?
The IUPAC name of 4-methyl-N-propylpiperazine-1-carbothioamide (CID 3192029) is 4-methyl-N-propylpiperazine-1-carbothioamide.
What is the SMILES notation for 4-methyl-N-propylpiperazine-1-carbothioamide?
The canonical SMILES for 4-methyl-N-propylpiperazine-1-carbothioamide is CCCNC(=S)N1CCN(C)CC1.
What is the InChIKey of 4-methyl-N-propylpiperazine-1-carbothioamide?
The InChIKey is KVVQTSJMYQPSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3S/c1-3-4-10-9(13)12-7-5-11(2)6-8-12/h3-8H2,1-2H3,(H,10,13).
What are the key properties of 4-methyl-N-propylpiperazine-1-carbothioamide?
4-methyl-N-propylpiperazine-1-carbothioamide has a molecular weight of 201.34 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propylpiperazine-1-carbothioamide is sourced from PubChem (CID 3192029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).