N'-[2-(3-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide

C14H29IN4S — CID 111056636

IUPACN'-[2-(3-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCC1CCCN(C(C)C/N=C(\N)N2CCSCC2)C1.I
InChIInChI=1S/C14H28N4S.HI/c1-12-4-3-5-18(11-12)13(2)10-16-14(15)17-6-8-19-9-7-17;/h12-13H,3-11H2,1-2H3,(H2,15,16);1H
InChIKeyILBVHNYBPORHGD-UHFFFAOYSA-N
MW412.39 g/mol
LogP2.09
Rot. Bonds3

About N'-[2-(3-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[2-(3-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 111056636) has the molecular formula C14H29IN4S and a molecular weight of 412.39 g/mol. Its IUPAC name is N'-[2-(3-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(3-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID111056636
Molecular FormulaC14H29IN4S
Molecular Weight412.39 g/mol
Exact Mass412.12
IUPAC NameN'-[2-(3-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCC1CCCN(C(C)C/N=C(\N)N2CCSCC2)C1.I
InChIInChI=1S/C14H28N4S.HI/c1-12-4-3-5-18(11-12)13(2)10-16-14(15)17-6-8-19-9-7-17;/h12-13H,3-11H2,1-2H3,(H2,15,16);1H
InChIKeyILBVHNYBPORHGD-UHFFFAOYSA-N
XLogP2.09
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

4-methyl-N'-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110920030
N'-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 111090433
4-methyl-N'-[2-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110920423
3-methyl-N'-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 111042541
N'-[2-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111086012
N'-(3-ethyl-2-pyrrolidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111042220
N'-(3-hydroxy-2-methylpropyl)-3-methylpiperidine-1-carboximidamide
CID 111076526
4-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 110919840
3-methyl-N'-(3-methyl-2-morpholin-4-ylbutyl)piperidine-1-carboximidamide
CID 111041135
N'-(2-methyl-3-piperidin-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 75534648
N'-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111802041
N'-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111041798

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(3-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 111056636) is N'-[2-(3-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(3-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(3-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide is CC1CCCN(C(C)C/N=C(\N)N2CCSCC2)C1.I.
What is the InChIKey of N'-[2-(3-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is ILBVHNYBPORHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4S.HI/c1-12-4-3-5-18(11-12)13(2)10-16-14(15)17-6-8-19-9-7-17;/h12-13H,3-11H2,1-2H3,(H2,15,16);1H.
What are the key properties of N'-[2-(3-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[2-(3-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 412.39 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111056636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).