N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide

C13H27IN4OS — CID 111099263

IUPACN'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCOCCN(CC/N=C(\N)N1CCSCC1)C1CC1.I
InChIInChI=1S/C13H26N4OS.HI/c1-18-9-6-16(12-2-3-12)5-4-15-13(14)17-7-10-19-11-8-17;/h12H,2-11H2,1H3,(H2,14,15);1H
InChIKeyKCZJNMBDAIQQPI-UHFFFAOYSA-N
MW414.36 g/mol
LogP1.08
Rot. Bonds7

About N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 111099263) has the molecular formula C13H27IN4OS and a molecular weight of 414.36 g/mol. Its IUPAC name is N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID111099263
Molecular FormulaC13H27IN4OS
Molecular Weight414.36 g/mol
Exact Mass414.10
IUPAC NameN'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCOCCN(CC/N=C(\N)N1CCSCC1)C1CC1.I
InChIInChI=1S/C13H26N4OS.HI/c1-18-9-6-16(12-2-3-12)5-4-15-13(14)17-7-10-19-11-8-17;/h12H,2-11H2,1H3,(H2,14,15);1H
InChIKeyKCZJNMBDAIQQPI-UHFFFAOYSA-N
XLogP1.08
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.36
LogP ≤ 51.08
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111087619
N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide
CID 111087620
tert-butyl N-[2-[[amino(thiomorpholin-4-yl)methylidene]amino]ethyl]-N-cyclopropylcarbamate;hydroiodide
CID 111097600
tert-butyl N-[2-[[amino(thiomorpholin-4-yl)methylidene]amino]ethyl]-N-cyclopropylcarbamate
CID 111097601
N'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide
CID 111022719
N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide
CID 110920452
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111099233
N'-[(4-methoxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 119148504
N'-[3-(4-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 111034887
3-[[amino(thiomorpholin-4-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
CID 75493964
N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboximidamide
CID 110935389

Frequently Asked Questions

What is the IUPAC name of N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 111099263) is N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide is COCCN(CC/N=C(\N)N1CCSCC1)C1CC1.I.
What is the InChIKey of N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is KCZJNMBDAIQQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4OS.HI/c1-18-9-6-16(12-2-3-12)5-4-15-13(14)17-7-10-19-11-8-17;/h12H,2-11H2,1H3,(H2,14,15);1H.
What are the key properties of N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 414.36 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111099263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).