N'-(2-methyl-3-piperidin-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide

C14H29IN4S — CID 75534648

IUPACN'-(2-methyl-3-piperidin-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESCC(C/N=C(\N)N1CCSCC1)CN1CCCCC1.I
InChIInChI=1S/C14H28N4S.HI/c1-13(12-17-5-3-2-4-6-17)11-16-14(15)18-7-9-19-10-8-18;/h13H,2-12H2,1H3,(H2,15,16);1H
InChIKeyOWQSZKYWHLJVAF-UHFFFAOYSA-N
MW412.39 g/mol
LogP2.09
Rot. Bonds4

About N'-(2-methyl-3-piperidin-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide

N'-(2-methyl-3-piperidin-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 75534648) has the molecular formula C14H29IN4S and a molecular weight of 412.39 g/mol. Its IUPAC name is N'-(2-methyl-3-piperidin-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(2-methyl-3-piperidin-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID75534648
Molecular FormulaC14H29IN4S
Molecular Weight412.39 g/mol
Exact Mass412.12
IUPAC NameN'-(2-methyl-3-piperidin-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESCC(C/N=C(\N)N1CCSCC1)CN1CCCCC1.I
InChIInChI=1S/C14H28N4S.HI/c1-13(12-17-5-3-2-4-6-17)11-16-14(15)18-7-9-19-10-8-18;/h13H,2-12H2,1H3,(H2,15,16);1H
InChIKeyOWQSZKYWHLJVAF-UHFFFAOYSA-N
XLogP2.09
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 52.09
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'}

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Related Compounds

N'-(3-ethyl-2-pyrrolidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111042220
N'-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexanecarboximidamide
CID 55160168
N'-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111041798
N'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111809661
4-methyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110927363
1-(diaminomethylidene)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 83035522
N'-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111070597
N'-(2-methyl-3-pyrazol-1-ylpropyl)azepane-1-carboximidamide;hydroiodide
CID 86779281
N'-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 111090433
1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 62991694
N'-[2-(3-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111056636
N'-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenecarboximidamide
CID 63181616

Frequently Asked Questions

What is the IUPAC name of N'-(2-methyl-3-piperidin-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-(2-methyl-3-piperidin-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide (CID 75534648) is N'-(2-methyl-3-piperidin-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(2-methyl-3-piperidin-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-(2-methyl-3-piperidin-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide is CC(C/N=C(\N)N1CCSCC1)CN1CCCCC1.I.
What is the InChIKey of N'-(2-methyl-3-piperidin-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is OWQSZKYWHLJVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4S.HI/c1-13(12-17-5-3-2-4-6-17)11-16-14(15)18-7-9-19-10-8-18;/h13H,2-12H2,1H3,(H2,15,16);1H.
What are the key properties of N'-(2-methyl-3-piperidin-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide?
N'-(2-methyl-3-piperidin-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 412.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methyl-3-piperidin-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 75534648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).