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

C11H13ClN2OS — CID 883416

IUPACN-(2-chlorophenyl)morpholine-4-carbothioamide
SMILESS=C(Nc1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C11H13ClN2OS/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)
InChIKeyIKNIEXDUNQAKKG-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.37
Rot. Bonds1

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

N-(2-chlorophenyl)morpholine-4-carbothioamide (PubChem CID 883416) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)morpholine-4-carbothioamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)morpholine-4-carbothioamide
PubChem CID883416
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC NameN-(2-chlorophenyl)morpholine-4-carbothioamide
SMILESS=C(Nc1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C11H13ClN2OS/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)
InChIKeyIKNIEXDUNQAKKG-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)morpholine-4-carboxamide
CID 759971
4-(3-Chlorophenylcarbamoyl)morpholine
CID 707647
3-Chloro-2-(morpholin-4-yl)aniline
CID 952393
3-Chloro-4-morpholinoaniline
CID 108661
Urea, 1-(p-chlorophenyl)-3-(3-morpholinopropyl)-
CID 1809198
N'-(2-(Morpholin-4-yl)ethyl)-N-phenylcarbamimidothioic acid
CID 722642
N-phenylmorpholine-4-carbothioamide
CID 668271
N-(4-chlorophenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea
CID 841905
N-(2,4-dichlorophenyl)-4-methylpiperazine-1-carbothioamide
CID 881854
N-(4-chloro-2-fluorophenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea
CID 714364
1-(3-Chlorophenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 1592843
N-(2,4-dichlorophenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide
CID 2958699

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)morpholine-4-carbothioamide?
The IUPAC name of N-(2-chlorophenyl)morpholine-4-carbothioamide (CID 883416) is N-(2-chlorophenyl)morpholine-4-carbothioamide.
What is the SMILES notation for N-(2-chlorophenyl)morpholine-4-carbothioamide?
The canonical SMILES for N-(2-chlorophenyl)morpholine-4-carbothioamide is S=C(Nc1ccccc1Cl)N1CCOCC1.
What is the InChIKey of N-(2-chlorophenyl)morpholine-4-carbothioamide?
The InChIKey is IKNIEXDUNQAKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/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-chlorophenyl)morpholine-4-carbothioamide?
N-(2-chlorophenyl)morpholine-4-carbothioamide has a molecular weight of 256.76 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)morpholine-4-carbothioamide is sourced from PubChem (CID 883416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).