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

C11H22IN3S — CID 111824582

IUPACN'-[(1-ethylcyclopropyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCCC1(C/N=C(\N)N2CCSCC2)CC1.I
InChIInChI=1S/C11H21N3S.HI/c1-2-11(3-4-11)9-13-10(12)14-5-7-15-8-6-14;/h2-9H2,1H3,(H2,12,13);1H
InChIKeySEHQEVPQDMMWKX-UHFFFAOYSA-N
MW355.29 g/mol
LogP2.16
Rot. Bonds3

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

N'-[(1-ethylcyclopropyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 111824582) has the molecular formula C11H22IN3S and a molecular weight of 355.29 g/mol. Its IUPAC name is N'-[(1-ethylcyclopropyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(1-ethylcyclopropyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID111824582
Molecular FormulaC11H22IN3S
Molecular Weight355.29 g/mol
Exact Mass355.06
IUPAC NameN'-[(1-ethylcyclopropyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCCC1(C/N=C(\N)N2CCSCC2)CC1.I
InChIInChI=1S/C11H21N3S.HI/c1-2-11(3-4-11)9-13-10(12)14-5-7-15-8-6-14;/h2-9H2,1H3,(H2,12,13);1H
InChIKeySEHQEVPQDMMWKX-UHFFFAOYSA-N
XLogP2.16
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 52.16
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(1-ethylcyclopropyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(1-ethylcyclopropyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 111824582) is N'-[(1-ethylcyclopropyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(1-ethylcyclopropyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(1-ethylcyclopropyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide is CCC1(C/N=C(\N)N2CCSCC2)CC1.I.
What is the InChIKey of N'-[(1-ethylcyclopropyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is SEHQEVPQDMMWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S.HI/c1-2-11(3-4-11)9-13-10(12)14-5-7-15-8-6-14;/h2-9H2,1H3,(H2,12,13);1H.
What are the key properties of N'-[(1-ethylcyclopropyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[(1-ethylcyclopropyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 355.29 g/mol, XLogP of 2.16, 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;hydroiodide is sourced from PubChem (CID 111824582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).