N'-[(1-methylcyclobutyl)methyl]thiomorpholine-4-carboximidamide

C11H21N3S — CID 75512573

IUPACN'-[(1-methylcyclobutyl)methyl]thiomorpholine-4-carboximidamide
SMILESCC1(C/N=C(\N)N2CCSCC2)CCC1
InChIInChI=1S/C11H21N3S/c1-11(3-2-4-11)9-13-10(12)14-5-7-15-8-6-14/h2-9H2,1H3,(H2,12,13)
InChIKeyOMRSKXBWLSHFHY-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.54
Rot. Bonds2

About N'-[(1-methylcyclobutyl)methyl]thiomorpholine-4-carboximidamide

N'-[(1-methylcyclobutyl)methyl]thiomorpholine-4-carboximidamide (PubChem CID 75512573) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N'-[(1-methylcyclobutyl)methyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(1-methylcyclobutyl)methyl]thiomorpholine-4-carboximidamide
PubChem CID75512573
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN'-[(1-methylcyclobutyl)methyl]thiomorpholine-4-carboximidamide
SMILESCC1(C/N=C(\N)N2CCSCC2)CCC1
InChIInChI=1S/C11H21N3S/c1-11(3-2-4-11)9-13-10(12)14-5-7-15-8-6-14/h2-9H2,1H3,(H2,12,13)
InChIKeyOMRSKXBWLSHFHY-UHFFFAOYSA-N
XLogP1.54
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.54
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'-[(3-methyloxetan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111810423
tert-butyl 4-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]-4-methylpiperidine-1-carboxylate
CID 110032114
N'-[(1-thiomorpholin-4-ylcyclopentyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111067655
N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]thiomorpholine-4-carboximidamide
CID 119146937
N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide
CID 120973293
N'-[(4-morpholin-4-yloxan-4-yl)methyl]thiomorpholine-4-carboximidamide
CID 122098612
N'-[(1-prop-2-enylcyclopentyl)methyl]thiomorpholine-4-carboximidamide
CID 122097885
N'-[[1-(2-methoxyphenyl)cyclopentyl]methyl]thiomorpholine-4-carboximidamide
CID 111078997
N'-[(1-morpholin-4-ylcyclopropyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120558136
N'-[(1-phenylcyclopropyl)methyl]thiomorpholine-4-carboximidamide
CID 111038851
N'-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120762790
N'-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111911855

Frequently Asked Questions

What is the IUPAC name of N'-[(1-methylcyclobutyl)methyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[(1-methylcyclobutyl)methyl]thiomorpholine-4-carboximidamide (CID 75512573) is N'-[(1-methylcyclobutyl)methyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[(1-methylcyclobutyl)methyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[(1-methylcyclobutyl)methyl]thiomorpholine-4-carboximidamide is CC1(C/N=C(\N)N2CCSCC2)CCC1.
What is the InChIKey of N'-[(1-methylcyclobutyl)methyl]thiomorpholine-4-carboximidamide?
The InChIKey is OMRSKXBWLSHFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-11(3-2-4-11)9-13-10(12)14-5-7-15-8-6-14/h2-9H2,1H3,(H2,12,13).
What are the key properties of N'-[(1-methylcyclobutyl)methyl]thiomorpholine-4-carboximidamide?
N'-[(1-methylcyclobutyl)methyl]thiomorpholine-4-carboximidamide has a molecular weight of 227.38 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-methylcyclobutyl)methyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 75512573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).