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

C11H21N3S — CID 111824583

IUPACN'-[(1-ethylcyclopropyl)methyl]thiomorpholine-4-carboximidamide
SMILESCCC1(C/N=C(\N)N2CCSCC2)CC1
InChIInChI=1S/C11H21N3S/c1-2-11(3-4-11)9-13-10(12)14-5-7-15-8-6-14/h2-9H2,1H3,(H2,12,13)
InChIKeyZVKDHNBWEDXIAX-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.54
Rot. Bonds3

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

N'-[(1-ethylcyclopropyl)methyl]thiomorpholine-4-carboximidamide (PubChem CID 111824583) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N'-[(1-ethylcyclopropyl)methyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(1-ethylcyclopropyl)methyl]thiomorpholine-4-carboximidamide
PubChem CID111824583
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN'-[(1-ethylcyclopropyl)methyl]thiomorpholine-4-carboximidamide
SMILESCCC1(C/N=C(\N)N2CCSCC2)CC1
InChIInChI=1S/C11H21N3S/c1-2-11(3-4-11)9-13-10(12)14-5-7-15-8-6-14/h2-9H2,1H3,(H2,12,13)
InChIKeyZVKDHNBWEDXIAX-UHFFFAOYSA-N
XLogP1.54
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N'-[(1-ethylcyclopropyl)methyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[(1-ethylcyclopropyl)methyl]thiomorpholine-4-carboximidamide (CID 111824583) is N'-[(1-ethylcyclopropyl)methyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[(1-ethylcyclopropyl)methyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[(1-ethylcyclopropyl)methyl]thiomorpholine-4-carboximidamide is CCC1(C/N=C(\N)N2CCSCC2)CC1.
What is the InChIKey of N'-[(1-ethylcyclopropyl)methyl]thiomorpholine-4-carboximidamide?
The InChIKey is ZVKDHNBWEDXIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-2-11(3-4-11)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-ethylcyclopropyl)methyl]thiomorpholine-4-carboximidamide?
N'-[(1-ethylcyclopropyl)methyl]thiomorpholine-4-carboximidamide has a molecular weight of 227.38 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-ethylcyclopropyl)methyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111824583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).