N'-methyl-N-(2-thiomorpholin-4-ylethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide

C17H30IN5S2 — CID 119153511

IUPACN'-methyl-N-(2-thiomorpholin-4-ylethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCN1CCSCC1)N1CCN(Cc2cccs2)CC1.I
InChIInChI=1S/C17H29N5S2.HI/c1-18-17(19-4-5-20-10-13-23-14-11-20)22-8-6-21(7-9-22)15-16-3-2-12-24-16;/h2-3,12H,4-11,13-15H2,1H3,(H,18,19);1H
InChIKeyAZCOFZSYZTWDIN-UHFFFAOYSA-N
MW495.50 g/mol
LogP2.11
Rot. Bonds5

About N'-methyl-N-(2-thiomorpholin-4-ylethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide

N'-methyl-N-(2-thiomorpholin-4-ylethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 119153511) has the molecular formula C17H30IN5S2 and a molecular weight of 495.50 g/mol. Its IUPAC name is N'-methyl-N-(2-thiomorpholin-4-ylethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-N-(2-thiomorpholin-4-ylethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
PubChem CID119153511
Molecular FormulaC17H30IN5S2
Molecular Weight495.50 g/mol
Exact Mass495.10
IUPAC NameN'-methyl-N-(2-thiomorpholin-4-ylethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCN1CCSCC1)N1CCN(Cc2cccs2)CC1.I
InChIInChI=1S/C17H29N5S2.HI/c1-18-17(19-4-5-20-10-13-23-14-11-20)22-8-6-21(7-9-22)15-16-3-2-12-24-16;/h2-3,12H,4-11,13-15H2,1H3,(H,18,19);1H
InChIKeyAZCOFZSYZTWDIN-UHFFFAOYSA-N
XLogP2.11
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.50
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N'-methyl-4-(thiophen-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 109392667
N-[[3-(dimethylamino)thiolan-3-yl]methyl]-N'-methyl-4-(thiophen-2-ylmethyl)piperazine-1-carboximidamide
CID 119156914
2-[[N-methyl-C-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonimidoyl]amino]-N-propan-2-ylacetamide
CID 119133196
4-(thiophen-2-ylmethyl)thiomorpholine
CID 792399
N'-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboximidamide
CID 111367413
ethyl 4-[N'-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111163658
N-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 111367388
methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
CID 110709201
N-ethyl-N'-[2-(methanesulfonamido)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboximidamide
CID 111367345
(2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 110709190
N',2,2-trimethyl-N-(2-thiophen-2-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109487510
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 51084810

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-thiomorpholin-4-ylethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-N-(2-thiomorpholin-4-ylethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide (CID 119153511) is N'-methyl-N-(2-thiomorpholin-4-ylethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-N-(2-thiomorpholin-4-ylethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-N-(2-thiomorpholin-4-ylethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide is C/N=C(\NCCN1CCSCC1)N1CCN(Cc2cccs2)CC1.I.
What is the InChIKey of N'-methyl-N-(2-thiomorpholin-4-ylethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is AZCOFZSYZTWDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5S2.HI/c1-18-17(19-4-5-20-10-13-23-14-11-20)22-8-6-21(7-9-22)15-16-3-2-12-24-16;/h2-3,12H,4-11,13-15H2,1H3,(H,18,19);1H.
What are the key properties of N'-methyl-N-(2-thiomorpholin-4-ylethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide?
N'-methyl-N-(2-thiomorpholin-4-ylethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 495.50 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-thiomorpholin-4-ylethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119153511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).