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

C14H28N4S — CID 111034887

IUPACN'-[3-(4-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide
SMILESCC1CCN(CCC/N=C(\N)N2CCSCC2)CC1
InChIInChI=1S/C14H28N4S/c1-13-3-7-17(8-4-13)6-2-5-16-14(15)18-9-11-19-12-10-18/h13H,2-12H2,1H3,(H2,15,16)
InChIKeyATCSHMUYSKHKMD-UHFFFAOYSA-N
MW284.47 g/mol
LogP1.47
Rot. Bonds4

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

N'-[3-(4-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide (PubChem CID 111034887) has the molecular formula C14H28N4S and a molecular weight of 284.47 g/mol. Its IUPAC name is N'-[3-(4-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[3-(4-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide
PubChem CID111034887
Molecular FormulaC14H28N4S
Molecular Weight284.47 g/mol
Exact Mass284.20
IUPAC NameN'-[3-(4-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide
SMILESCC1CCN(CCC/N=C(\N)N2CCSCC2)CC1
InChIInChI=1S/C14H28N4S/c1-13-3-7-17(8-4-13)6-2-5-16-14(15)18-9-11-19-12-10-18/h13H,2-12H2,1H3,(H2,15,16)
InChIKeyATCSHMUYSKHKMD-UHFFFAOYSA-N
XLogP1.47
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide
CID 111034873
4-methyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 110920130
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'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111809661
N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
N'-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111047033
N'-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920087
4-methyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide
CID 110921127
N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide
CID 111435851
4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide
CID 110919808
N'-(3-pyrrolidin-1-ylpropyl)azepane-1-carboximidamide
CID 86779268

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[3-(4-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide (CID 111034887) is N'-[3-(4-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[3-(4-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[3-(4-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide is CC1CCN(CCC/N=C(\N)N2CCSCC2)CC1.
What is the InChIKey of N'-[3-(4-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide?
The InChIKey is ATCSHMUYSKHKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4S/c1-13-3-7-17(8-4-13)6-2-5-16-14(15)18-9-11-19-12-10-18/h13H,2-12H2,1H3,(H2,15,16).
What are the key properties of N'-[3-(4-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide?
N'-[3-(4-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide has a molecular weight of 284.47 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111034887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).