N-(2-iodophenyl)morpholine-4-carbothioamide

C11H13IN2OS — CID 125475312

IUPACN-(2-iodophenyl)morpholine-4-carbothioamide
SMILESS=C(Nc1ccccc1I)N1CCOCC1
InChIInChI=1S/C11H13IN2OS/c12-9-3-1-2-4-10(9)13-11(16)14-5-7-15-8-6-14/h1-4H,5-8H2,(H,13,16)
InChIKeyMGCOKXMJEYCPIS-UHFFFAOYSA-N
MW348.21 g/mol
LogP2.32
Rot. Bonds1

About N-(2-iodophenyl)morpholine-4-carbothioamide

N-(2-iodophenyl)morpholine-4-carbothioamide (PubChem CID 125475312) has the molecular formula C11H13IN2OS and a molecular weight of 348.21 g/mol. Its IUPAC name is N-(2-iodophenyl)morpholine-4-carbothioamide.

Molecular Properties

Compound NameN-(2-iodophenyl)morpholine-4-carbothioamide
PubChem CID125475312
Molecular FormulaC11H13IN2OS
Molecular Weight348.21 g/mol
Exact Mass347.98
IUPAC NameN-(2-iodophenyl)morpholine-4-carbothioamide
SMILESS=C(Nc1ccccc1I)N1CCOCC1
InChIInChI=1S/C11H13IN2OS/c12-9-3-1-2-4-10(9)13-11(16)14-5-7-15-8-6-14/h1-4H,5-8H2,(H,13,16)
InChIKeyMGCOKXMJEYCPIS-UHFFFAOYSA-N
XLogP2.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.21
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)morpholine-4-carbothioamide
CID 709147
N-phenylmorpholine-4-carbothioamide
CID 139054920
N-(2-ethoxyphenyl)morpholine-4-carbothioamide
CID 3863223
N-(2,4-difluorophenyl)morpholine-4-carbothioamide
CID 4604894
1-N,4-N-bis(2-methylphenyl)piperazine-1,4-dicarbothioamide
CID 8624605
2-iodo-N-[2,2,2-trichloro-1-(morpholine-4-carbothioylamino)ethyl]benzamide
CID 3772162
N-(3,4-dichlorophenyl)morpholine-4-carbothioamide
CID 773259
N-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 5217633
N-(3-acetylphenyl)morpholine-4-carbothioamide
CID 19653714
N-[(E)-benzylideneamino]morpholine-4-carbothioamide
CID 6873170
N-(4-butyl-2-methylphenyl)morpholine-4-carbothioamide
CID 3869336
N-(2,3-dichlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide
CID 91902464

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)morpholine-4-carbothioamide?
The IUPAC name of N-(2-iodophenyl)morpholine-4-carbothioamide (CID 125475312) is N-(2-iodophenyl)morpholine-4-carbothioamide.
What is the SMILES notation for N-(2-iodophenyl)morpholine-4-carbothioamide?
The canonical SMILES for N-(2-iodophenyl)morpholine-4-carbothioamide is S=C(Nc1ccccc1I)N1CCOCC1.
What is the InChIKey of N-(2-iodophenyl)morpholine-4-carbothioamide?
The InChIKey is MGCOKXMJEYCPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2OS/c12-9-3-1-2-4-10(9)13-11(16)14-5-7-15-8-6-14/h1-4H,5-8H2,(H,13,16).
What are the key properties of N-(2-iodophenyl)morpholine-4-carbothioamide?
N-(2-iodophenyl)morpholine-4-carbothioamide has a molecular weight of 348.21 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)morpholine-4-carbothioamide is sourced from PubChem (CID 125475312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).