N'-(2-aminoethyl)-4-methyl-N-(2-methylsulfanylphenyl)piperazine-1-carboximidamide

C15H25N5S — CID 134088767

IUPACN'-(2-aminoethyl)-4-methyl-N-(2-methylsulfanylphenyl)piperazine-1-carboximidamide
SMILESCSc1ccccc1N/C(=N/CCN)N1CCN(C)CC1
InChIInChI=1S/C15H25N5S/c1-19-9-11-20(12-10-19)15(17-8-7-16)18-13-5-3-4-6-14(13)21-2/h3-6H,7-12,16H2,1-2H3,(H,17,18)
InChIKeyTUDTZBUTDKQEHJ-UHFFFAOYSA-N
MW307.47 g/mol
LogP1.38
Rot. Bonds4

About N'-(2-aminoethyl)-4-methyl-N-(2-methylsulfanylphenyl)piperazine-1-carboximidamide

N'-(2-aminoethyl)-4-methyl-N-(2-methylsulfanylphenyl)piperazine-1-carboximidamide (PubChem CID 134088767) has the molecular formula C15H25N5S and a molecular weight of 307.47 g/mol. Its IUPAC name is N'-(2-aminoethyl)-4-methyl-N-(2-methylsulfanylphenyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-aminoethyl)-4-methyl-N-(2-methylsulfanylphenyl)piperazine-1-carboximidamide
PubChem CID134088767
Molecular FormulaC15H25N5S
Molecular Weight307.47 g/mol
Exact Mass307.18
IUPAC NameN'-(2-aminoethyl)-4-methyl-N-(2-methylsulfanylphenyl)piperazine-1-carboximidamide
SMILESCSc1ccccc1N/C(=N/CCN)N1CCN(C)CC1
InChIInChI=1S/C15H25N5S/c1-19-9-11-20(12-10-19)15(17-8-7-16)18-13-5-3-4-6-14(13)21-2/h3-6H,7-12,16H2,1-2H3,(H,17,18)
InChIKeyTUDTZBUTDKQEHJ-UHFFFAOYSA-N
XLogP1.38
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)oxamide
CID 44998267
N-(3-acetylphenyl)-N'-[2-(2-aminoethylsulfanyl)ethyl]-4-methylpiperazine-1-carboximidamide
CID 134111392
ethyl 4-[(2-methylsulfanylphenyl)carbamoyl]piperazine-1-carboxylate
CID 3351841
N'-(6-aminohexyl)-4-methyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboximidamide
CID 134091997
ethyl 4-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]piperazine-1-carboxylate
CID 9166348
ethyl 4-[3-(2-methylsulfanylanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 24588656
N'-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-N-(2-methylsulfanylphenyl)morpholine-4-carboximidamide
CID 134091987
4-methyl-N-[2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]phenyl]piperazine-1-carboxamide
CID 22985671
N'-(3-ethoxypropyl)-N-(5-fluoro-2-hydroxyphenyl)-4-methylpiperazine-1-carboximidamide
CID 134111489
4-(2-methylsulfanylanilino)piperidine-1-carboxamide
CID 43781018
2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 38216091
N,N-dimethyl-4-[3-(2-methylsulfanylanilino)-3-oxopropyl]piperazine-1-carboxamide
CID 55682674

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-4-methyl-N-(2-methylsulfanylphenyl)piperazine-1-carboximidamide?
The IUPAC name of N'-(2-aminoethyl)-4-methyl-N-(2-methylsulfanylphenyl)piperazine-1-carboximidamide (CID 134088767) is N'-(2-aminoethyl)-4-methyl-N-(2-methylsulfanylphenyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-(2-aminoethyl)-4-methyl-N-(2-methylsulfanylphenyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-(2-aminoethyl)-4-methyl-N-(2-methylsulfanylphenyl)piperazine-1-carboximidamide is CSc1ccccc1N/C(=N/CCN)N1CCN(C)CC1.
What is the InChIKey of N'-(2-aminoethyl)-4-methyl-N-(2-methylsulfanylphenyl)piperazine-1-carboximidamide?
The InChIKey is TUDTZBUTDKQEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5S/c1-19-9-11-20(12-10-19)15(17-8-7-16)18-13-5-3-4-6-14(13)21-2/h3-6H,7-12,16H2,1-2H3,(H,17,18).
What are the key properties of N'-(2-aminoethyl)-4-methyl-N-(2-methylsulfanylphenyl)piperazine-1-carboximidamide?
N'-(2-aminoethyl)-4-methyl-N-(2-methylsulfanylphenyl)piperazine-1-carboximidamide has a molecular weight of 307.47 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-4-methyl-N-(2-methylsulfanylphenyl)piperazine-1-carboximidamide is sourced from PubChem (CID 134088767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).