1-[3-[[C-(2,2-dimethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide

C17H34IN5OS — CID 109487444

IUPAC1-[3-[[C-(2,2-dimethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide
SMILESC/N=C(\NCCCN1CCCC(C(N)=O)C1)N1CCSC(C)(C)C1.I
InChIInChI=1S/C17H33N5OS.HI/c1-17(2)13-22(10-11-24-17)16(19-3)20-7-5-9-21-8-4-6-14(12-21)15(18)23;/h14H,4-13H2,1-3H3,(H2,18,23)(H,19,20);1H
InChIKeyUSDJSOXJDYRDKB-UHFFFAOYSA-N
MW483.46 g/mol
LogP1.59
Rot. Bonds5

About 1-[3-[[C-(2,2-dimethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide

1-[3-[[C-(2,2-dimethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide (PubChem CID 109487444) has the molecular formula C17H34IN5OS and a molecular weight of 483.46 g/mol. Its IUPAC name is 1-[3-[[C-(2,2-dimethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide.

Molecular Properties

Compound Name1-[3-[[C-(2,2-dimethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide
PubChem CID109487444
Molecular FormulaC17H34IN5OS
Molecular Weight483.46 g/mol
Exact Mass483.15
IUPAC Name1-[3-[[C-(2,2-dimethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide
SMILESC/N=C(\NCCCN1CCCC(C(N)=O)C1)N1CCSC(C)(C)C1.I
InChIInChI=1S/C17H33N5OS.HI/c1-17(2)13-22(10-11-24-17)16(19-3)20-7-5-9-21-8-4-6-14(12-21)15(18)23;/h14H,4-13H2,1-3H3,(H2,18,23)(H,19,20);1H
InChIKeyUSDJSOXJDYRDKB-UHFFFAOYSA-N
XLogP1.59
TPSA73.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.46
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-[[C-(2,2-dimethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide with MolForge

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Related Compounds

N',2,2-trimethyl-N-[4-(4-methylpiperidin-1-yl)butyl]thiomorpholine-4-carboximidamide
CID 109489557
N',2,2-trimethyl-N-(4-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109487393
N-[4-(4-ethylpiperazin-1-yl)butyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109488574
N',2,2-trimethyl-N-pentylthiomorpholine-4-carboximidamide;hydroiodide
CID 109487450
N-(3-fluoropropyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489790
N-(2-cyclopropylethyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488453
1-[3-[[N-methyl-C-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]carbonimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide
CID 111749141
1-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 61386237
1-[3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide
CID 111091537
1-[3-[[N'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide
CID 111370234
N',2,2-trimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thiomorpholine-4-carboximidamide
CID 109489855
1-[3-[[N-(4-cyclopentylbutyl)-N'-methylcarbamimidoyl]amino]propyl]piperidine-3-carboxamide
CID 111608950

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[C-(2,2-dimethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide?
The IUPAC name of 1-[3-[[C-(2,2-dimethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide (CID 109487444) is 1-[3-[[C-(2,2-dimethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide.
What is the SMILES notation for 1-[3-[[C-(2,2-dimethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide?
The canonical SMILES for 1-[3-[[C-(2,2-dimethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide is C/N=C(\NCCCN1CCCC(C(N)=O)C1)N1CCSC(C)(C)C1.I.
What is the InChIKey of 1-[3-[[C-(2,2-dimethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide?
The InChIKey is USDJSOXJDYRDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N5OS.HI/c1-17(2)13-22(10-11-24-17)16(19-3)20-7-5-9-21-8-4-6-14(12-21)15(18)23;/h14H,4-13H2,1-3H3,(H2,18,23)(H,19,20);1H.
What are the key properties of 1-[3-[[C-(2,2-dimethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide?
1-[3-[[C-(2,2-dimethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide has a molecular weight of 483.46 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[C-(2,2-dimethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide is sourced from PubChem (CID 109487444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).