N'-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide

C13H27N5S — CID 111090433

IUPACN'-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide
SMILESCC(C/N=C(\N)N1CCSCC1)N1CCN(C)CC1
InChIInChI=1S/C13H27N5S/c1-12(17-5-3-16(2)4-6-17)11-15-13(14)18-7-9-19-10-8-18/h12H,3-11H2,1-2H3,(H2,14,15)
InChIKeyPUPFANCBDGDDQF-UHFFFAOYSA-N
MW285.46 g/mol
LogP-0.01
Rot. Bonds3

About N'-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide

N'-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide (PubChem CID 111090433) has the molecular formula C13H27N5S and a molecular weight of 285.46 g/mol. Its IUPAC name is N'-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide
PubChem CID111090433
Molecular FormulaC13H27N5S
Molecular Weight285.46 g/mol
Exact Mass285.20
IUPAC NameN'-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide
SMILESCC(C/N=C(\N)N1CCSCC1)N1CCN(C)CC1
InChIInChI=1S/C13H27N5S/c1-12(17-5-3-16(2)4-6-17)11-15-13(14)18-7-9-19-10-8-18/h12H,3-11H2,1-2H3,(H2,14,15)
InChIKeyPUPFANCBDGDDQF-UHFFFAOYSA-N
XLogP-0.01
TPSA48.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide
CID 111090365
N'-[2-(3-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111056636
N'-[2-(4-methylpiperazin-1-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111090444
N'-(2-morpholin-4-ylpropyl)morpholine-4-carboximidamide
CID 111055185
4-methyl-N'-[2-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110920423
N'-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111041798
N'-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide
CID 111041535
N'-(3-ethyl-2-pyrrolidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111042220
N'-(2-methyl-3-piperidin-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 75534648
N'-[3-(4-methyl-1,4-diazepan-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 111091688
N'-[3-(4-methyl-1,4-diazepan-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111091687
N'-(2-ethylhexyl)thiomorpholine-4-carboximidamide
CID 111022524

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide (CID 111090433) is N'-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide is CC(C/N=C(\N)N1CCSCC1)N1CCN(C)CC1.
What is the InChIKey of N'-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide?
The InChIKey is PUPFANCBDGDDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5S/c1-12(17-5-3-16(2)4-6-17)11-15-13(14)18-7-9-19-10-8-18/h12H,3-11H2,1-2H3,(H2,14,15).
What are the key properties of N'-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide?
N'-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide has a molecular weight of 285.46 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111090433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).