4-acetyl-N-(2-tert-butylsulfinylethyl)-N'-methylpiperazine-1-carboximidamide

C14H28N4O2S — CID 119160235

IUPAC4-acetyl-N-(2-tert-butylsulfinylethyl)-N'-methylpiperazine-1-carboximidamide
SMILESC/N=C(\NCCS(=O)C(C)(C)C)N1CCN(C(C)=O)CC1
InChIInChI=1S/C14H28N4O2S/c1-12(19)17-7-9-18(10-8-17)13(15-5)16-6-11-21(20)14(2,3)4/h6-11H2,1-5H3,(H,15,16)
InChIKeyPGDRCTQDCBAWQI-UHFFFAOYSA-N
MW316.47 g/mol
LogP0.27
Rot. Bonds3

About 4-acetyl-N-(2-tert-butylsulfinylethyl)-N'-methylpiperazine-1-carboximidamide

4-acetyl-N-(2-tert-butylsulfinylethyl)-N'-methylpiperazine-1-carboximidamide (PubChem CID 119160235) has the molecular formula C14H28N4O2S and a molecular weight of 316.47 g/mol. Its IUPAC name is 4-acetyl-N-(2-tert-butylsulfinylethyl)-N'-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-acetyl-N-(2-tert-butylsulfinylethyl)-N'-methylpiperazine-1-carboximidamide
PubChem CID119160235
Molecular FormulaC14H28N4O2S
Molecular Weight316.47 g/mol
Exact Mass316.19
IUPAC Name4-acetyl-N-(2-tert-butylsulfinylethyl)-N'-methylpiperazine-1-carboximidamide
SMILESC/N=C(\NCCS(=O)C(C)(C)C)N1CCN(C(C)=O)CC1
InChIInChI=1S/C14H28N4O2S/c1-12(19)17-7-9-18(10-8-17)13(15-5)16-6-11-21(20)14(2,3)4/h6-11H2,1-5H3,(H,15,16)
InChIKeyPGDRCTQDCBAWQI-UHFFFAOYSA-N
XLogP0.27
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-acetyl-N-(2-tert-butylsulfinylethyl)-N'-methylpiperazine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(S)-tert-butylsulfinyl]ethyl]morpholine-4-carboxamide
CID 96502385
1-(2-tert-butylsulfinylethyl)-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111832416
N-(2-tert-butylsulfinylethyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111459110
2-[[C-(4-acetylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]-N-cyclopropylacetamide
CID 119115989
4-acetyl-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-methylpiperazine-1-carboximidamide
CID 119157757
2-methyl-N-[2-[[N-methyl-C-[4-(2-methylpropyl)piperazin-1-yl]carbonimidoyl]amino]ethyl]propanamide
CID 111327006
N-[2-(4-acetylpiperazin-1-yl)ethyl]-N'-methyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboximidamide
CID 111234109
N-[2-(4-acetylpiperazin-1-yl)ethyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 111734909
N'-(2-tert-butylsulfinylethyl)-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109379403
4-acetyl-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 119115774
tert-butyl N-methyl-N-[2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]ethyl]carbamate;hydroiodide
CID 109376192
4-acetyl-N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119139362

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-tert-butylsulfinylethyl)-N'-methylpiperazine-1-carboximidamide?
The IUPAC name of 4-acetyl-N-(2-tert-butylsulfinylethyl)-N'-methylpiperazine-1-carboximidamide (CID 119160235) is 4-acetyl-N-(2-tert-butylsulfinylethyl)-N'-methylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-acetyl-N-(2-tert-butylsulfinylethyl)-N'-methylpiperazine-1-carboximidamide?
The canonical SMILES for 4-acetyl-N-(2-tert-butylsulfinylethyl)-N'-methylpiperazine-1-carboximidamide is C/N=C(\NCCS(=O)C(C)(C)C)N1CCN(C(C)=O)CC1.
What is the InChIKey of 4-acetyl-N-(2-tert-butylsulfinylethyl)-N'-methylpiperazine-1-carboximidamide?
The InChIKey is PGDRCTQDCBAWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2S/c1-12(19)17-7-9-18(10-8-17)13(15-5)16-6-11-21(20)14(2,3)4/h6-11H2,1-5H3,(H,15,16).
What are the key properties of 4-acetyl-N-(2-tert-butylsulfinylethyl)-N'-methylpiperazine-1-carboximidamide?
4-acetyl-N-(2-tert-butylsulfinylethyl)-N'-methylpiperazine-1-carboximidamide has a molecular weight of 316.47 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-tert-butylsulfinylethyl)-N'-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 119160235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).