N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide

C11H23N3OS — CID 111087620

IUPACN'-(5-methoxypentyl)thiomorpholine-4-carboximidamide
SMILESCOCCCCC/N=C(\N)N1CCSCC1
InChIInChI=1S/C11H23N3OS/c1-15-8-4-2-3-5-13-11(12)14-6-9-16-10-7-14/h2-10H2,1H3,(H2,12,13)
InChIKeyAAFGASKIGUQMRR-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.17
Rot. Bonds6

About N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide

N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide (PubChem CID 111087620) has the molecular formula C11H23N3OS and a molecular weight of 245.39 g/mol. Its IUPAC name is N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(5-methoxypentyl)thiomorpholine-4-carboximidamide
PubChem CID111087620
Molecular FormulaC11H23N3OS
Molecular Weight245.39 g/mol
Exact Mass245.16
IUPAC NameN'-(5-methoxypentyl)thiomorpholine-4-carboximidamide
SMILESCOCCCCC/N=C(\N)N1CCSCC1
InChIInChI=1S/C11H23N3OS/c1-15-8-4-2-3-5-13-11(12)14-6-9-16-10-7-14/h2-10H2,1H3,(H2,12,13)
InChIKeyAAFGASKIGUQMRR-UHFFFAOYSA-N
XLogP1.17
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.17
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

N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111087619
N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide
CID 110920452
N'-[3-(3,5-dimethoxyphenoxy)propyl]thiomorpholine-4-carboximidamide
CID 111975623
N'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111809661
N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111099263
N'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111814755
N'-[3-(4-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 111034887
N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
CID 110062207
N'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide
CID 111022719
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

Frequently Asked Questions

What is the IUPAC name of N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide?
The IUPAC name of N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide (CID 111087620) is N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide is COCCCCC/N=C(\N)N1CCSCC1.
What is the InChIKey of N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide?
The InChIKey is AAFGASKIGUQMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3OS/c1-15-8-4-2-3-5-13-11(12)14-6-9-16-10-7-14/h2-10H2,1H3,(H2,12,13).
What are the key properties of N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide?
N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide has a molecular weight of 245.39 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111087620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).