N'-[2-(4-methylphenyl)ethyl]thiomorpholine-4-carboximidamide

C14H21N3S — CID 111814110

IUPACN'-[2-(4-methylphenyl)ethyl]thiomorpholine-4-carboximidamide
SMILESCc1ccc(CC/N=C(\N)N2CCSCC2)cc1
InChIInChI=1S/C14H21N3S/c1-12-2-4-13(5-3-12)6-7-16-14(15)17-8-10-18-11-9-17/h2-5H,6-11H2,1H3,(H2,15,16)
InChIKeyWFKMPAJHBTYQET-UHFFFAOYSA-N
MW263.41 g/mol
LogP1.90
Rot. Bonds3

About N'-[2-(4-methylphenyl)ethyl]thiomorpholine-4-carboximidamide

N'-[2-(4-methylphenyl)ethyl]thiomorpholine-4-carboximidamide (PubChem CID 111814110) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N'-[2-(4-methylphenyl)ethyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-methylphenyl)ethyl]thiomorpholine-4-carboximidamide
PubChem CID111814110
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN'-[2-(4-methylphenyl)ethyl]thiomorpholine-4-carboximidamide
SMILESCc1ccc(CC/N=C(\N)N2CCSCC2)cc1
InChIInChI=1S/C14H21N3S/c1-12-2-4-13(5-3-12)6-7-16-14(15)17-8-10-18-11-9-17/h2-5H,6-11H2,1H3,(H2,15,16)
InChIKeyWFKMPAJHBTYQET-UHFFFAOYSA-N
XLogP1.90
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-butoxyphenyl)ethyl]thiomorpholine-4-carboximidamide
CID 111049744
N'-[2-[4-(2-methylpropoxy)phenyl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111806309
N'-[2-(2,4,6-trimethylphenyl)ethyl]thiomorpholine-4-carboximidamide
CID 111060663
N'-[(2,4-dimethylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111051638
N'-[(4-methylsulfanylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 119120285
N'-[2-(2,4-difluorophenyl)ethyl]thiomorpholine-4-carboximidamide
CID 111801624
N'-[(4-fluoro-3-methylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111038549
N'-[2-(7-methyl-1H-indol-3-yl)ethyl]thiomorpholine-4-carboximidamide
CID 111808934
N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
N'-[2-(2,5-dimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide
CID 111044480
N'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111024810
N'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide
CID 111077789

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methylphenyl)ethyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[2-(4-methylphenyl)ethyl]thiomorpholine-4-carboximidamide (CID 111814110) is N'-[2-(4-methylphenyl)ethyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(4-methylphenyl)ethyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(4-methylphenyl)ethyl]thiomorpholine-4-carboximidamide is Cc1ccc(CC/N=C(\N)N2CCSCC2)cc1.
What is the InChIKey of N'-[2-(4-methylphenyl)ethyl]thiomorpholine-4-carboximidamide?
The InChIKey is WFKMPAJHBTYQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-12-2-4-13(5-3-12)6-7-16-14(15)17-8-10-18-11-9-17/h2-5H,6-11H2,1H3,(H2,15,16).
What are the key properties of N'-[2-(4-methylphenyl)ethyl]thiomorpholine-4-carboximidamide?
N'-[2-(4-methylphenyl)ethyl]thiomorpholine-4-carboximidamide has a molecular weight of 263.41 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methylphenyl)ethyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111814110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).