N-ethyl-4-(2-methylpropyl)-N'-(thian-4-ylmethyl)piperazine-1-carboximidamide;hydroiodide

C17H35IN4S — CID 119158024

IUPACN-ethyl-4-(2-methylpropyl)-N'-(thian-4-ylmethyl)piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CCSCC1)N1CCN(CC(C)C)CC1.I
InChIInChI=1S/C17H34N4S.HI/c1-4-18-17(19-13-16-5-11-22-12-6-16)21-9-7-20(8-10-21)14-15(2)3;/h15-16H,4-14H2,1-3H3,(H,18,19);1H
InChIKeyCDXGLWSXHUERCH-UHFFFAOYSA-N
MW454.47 g/mol
LogP2.99
Rot. Bonds5

About N-ethyl-4-(2-methylpropyl)-N'-(thian-4-ylmethyl)piperazine-1-carboximidamide;hydroiodide

N-ethyl-4-(2-methylpropyl)-N'-(thian-4-ylmethyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 119158024) has the molecular formula C17H35IN4S and a molecular weight of 454.47 g/mol. Its IUPAC name is N-ethyl-4-(2-methylpropyl)-N'-(thian-4-ylmethyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-4-(2-methylpropyl)-N'-(thian-4-ylmethyl)piperazine-1-carboximidamide;hydroiodide
PubChem CID119158024
Molecular FormulaC17H35IN4S
Molecular Weight454.47 g/mol
Exact Mass454.16
IUPAC NameN-ethyl-4-(2-methylpropyl)-N'-(thian-4-ylmethyl)piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CCSCC1)N1CCN(CC(C)C)CC1.I
InChIInChI=1S/C17H34N4S.HI/c1-4-18-17(19-13-16-5-11-22-12-6-16)21-9-7-20(8-10-21)14-15(2)3;/h15-16H,4-14H2,1-3H3,(H,18,19);1H
InChIKeyCDXGLWSXHUERCH-UHFFFAOYSA-N
XLogP2.99
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.47
LogP ≤ 52.99
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-ethyl-4-(2-methylpropyl)-N'-(thian-4-ylmethyl)piperazine-1-carboximidamide;hydroiodide 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-ethyl-4-(furan-2-carbonyl)-N'-(thian-4-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 119157846
N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(2-methylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111326971
N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(2-methylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111516146
4-acetyl-N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110964090
N-cyclopropyl-4-[[ethylamino-[4-(2-methylpropyl)piperazin-1-yl]methylidene]amino]butanamide
CID 111326982
N'-(cyclopropylmethyl)-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153504
N'-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-N-ethyl-4-(2-methylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111502358
4-acetyl-N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide
CID 110964091
N-ethyl-4-(2-methylpropyl)-N'-[(4-methylsulfanyloxan-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111516168
(3R)-N'-(cyclopropylmethyl)-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide
CID 111549681
4-acetyl-N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperazine-1-carboximidamide
CID 110963591
N'-(cyclopropylmethyl)-N-ethyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110962040

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylpropyl)-N'-(thian-4-ylmethyl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-4-(2-methylpropyl)-N'-(thian-4-ylmethyl)piperazine-1-carboximidamide;hydroiodide (CID 119158024) is N-ethyl-4-(2-methylpropyl)-N'-(thian-4-ylmethyl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-4-(2-methylpropyl)-N'-(thian-4-ylmethyl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-4-(2-methylpropyl)-N'-(thian-4-ylmethyl)piperazine-1-carboximidamide;hydroiodide is CCN/C(=N\CC1CCSCC1)N1CCN(CC(C)C)CC1.I.
What is the InChIKey of N-ethyl-4-(2-methylpropyl)-N'-(thian-4-ylmethyl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is CDXGLWSXHUERCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4S.HI/c1-4-18-17(19-13-16-5-11-22-12-6-16)21-9-7-20(8-10-21)14-15(2)3;/h15-16H,4-14H2,1-3H3,(H,18,19);1H.
What are the key properties of N-ethyl-4-(2-methylpropyl)-N'-(thian-4-ylmethyl)piperazine-1-carboximidamide;hydroiodide?
N-ethyl-4-(2-methylpropyl)-N'-(thian-4-ylmethyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 454.47 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methylpropyl)-N'-(thian-4-ylmethyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119158024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).