4-methyl-N'-(1-sulfanylethyl)piperazine-1-carboximidamide

C8H18N4S — CID 123691769

IUPAC4-methyl-N'-(1-sulfanylethyl)piperazine-1-carboximidamide
SMILESCC(S)N=C(N)N1CCN(C)CC1
InChIInChI=1S/C8H18N4S/c1-7(13)10-8(9)12-5-3-11(2)4-6-12/h7,13H,3-6H2,1-2H3,(H2,9,10)
InChIKeyTZPACQCEKDUPLE-UHFFFAOYSA-N
MW202.33 g/mol
LogP-0.18
Rot. Bonds1

About 4-methyl-N'-(1-sulfanylethyl)piperazine-1-carboximidamide

4-methyl-N'-(1-sulfanylethyl)piperazine-1-carboximidamide (PubChem CID 123691769) has the molecular formula C8H18N4S and a molecular weight of 202.33 g/mol. Its IUPAC name is 4-methyl-N'-(1-sulfanylethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-(1-sulfanylethyl)piperazine-1-carboximidamide
PubChem CID123691769
Molecular FormulaC8H18N4S
Molecular Weight202.33 g/mol
Exact Mass202.13
IUPAC Name4-methyl-N'-(1-sulfanylethyl)piperazine-1-carboximidamide
SMILESCC(S)N=C(N)N1CCN(C)CC1
InChIInChI=1S/C8H18N4S/c1-7(13)10-8(9)12-5-3-11(2)4-6-12/h7,13H,3-6H2,1-2H3,(H2,9,10)
InChIKeyTZPACQCEKDUPLE-UHFFFAOYSA-N
XLogP-0.18
TPSA44.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(1-sulfanylethyl)piperazine-1-carboximidamide?
The IUPAC name of 4-methyl-N'-(1-sulfanylethyl)piperazine-1-carboximidamide (CID 123691769) is 4-methyl-N'-(1-sulfanylethyl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-methyl-N'-(1-sulfanylethyl)piperazine-1-carboximidamide?
The canonical SMILES for 4-methyl-N'-(1-sulfanylethyl)piperazine-1-carboximidamide is CC(S)N=C(N)N1CCN(C)CC1.
What is the InChIKey of 4-methyl-N'-(1-sulfanylethyl)piperazine-1-carboximidamide?
The InChIKey is TZPACQCEKDUPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4S/c1-7(13)10-8(9)12-5-3-11(2)4-6-12/h7,13H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of 4-methyl-N'-(1-sulfanylethyl)piperazine-1-carboximidamide?
4-methyl-N'-(1-sulfanylethyl)piperazine-1-carboximidamide has a molecular weight of 202.33 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(1-sulfanylethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 123691769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).