N-(3,4-dichlorophenyl)thiomorpholine-4-carboxamide

C11H12Cl2N2OS — CID 1225683

IUPACN-(3,4-dichlorophenyl)thiomorpholine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCSCC1
InChIInChI=1S/C11H12Cl2N2OS/c12-9-2-1-8(7-10(9)13)14-11(16)15-3-5-17-6-4-15/h1-2,7H,3-6H2,(H,14,16)
InChIKeyFIJLSHXRCKBTCE-UHFFFAOYSA-N
MW291.20 g/mol
LogP3.57
Rot. Bonds1

About N-(3,4-dichlorophenyl)thiomorpholine-4-carboxamide

N-(3,4-dichlorophenyl)thiomorpholine-4-carboxamide (PubChem CID 1225683) has the molecular formula C11H12Cl2N2OS and a molecular weight of 291.20 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)thiomorpholine-4-carboxamide
PubChem CID1225683
Molecular FormulaC11H12Cl2N2OS
Molecular Weight291.20 g/mol
Exact Mass290.00
IUPAC NameN-(3,4-dichlorophenyl)thiomorpholine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCSCC1
InChIInChI=1S/C11H12Cl2N2OS/c12-9-2-1-8(7-10(9)13)14-11(16)15-3-5-17-6-4-15/h1-2,7H,3-6H2,(H,14,16)
InChIKeyFIJLSHXRCKBTCE-UHFFFAOYSA-N
XLogP3.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3,4-dichlorophenyl)morpholine-4-carboxamide
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Azepane-1-carboxylic acid (3,4-dichloro-phenyl)-amide
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N-phenylthiomorpholine-4-carboxamide
CID 831798
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)thiomorpholine-4-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)thiomorpholine-4-carboxamide (CID 1225683) is N-(3,4-dichlorophenyl)thiomorpholine-4-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)thiomorpholine-4-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)thiomorpholine-4-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)N1CCSCC1.
What is the InChIKey of N-(3,4-dichlorophenyl)thiomorpholine-4-carboxamide?
The InChIKey is FIJLSHXRCKBTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2OS/c12-9-2-1-8(7-10(9)13)14-11(16)15-3-5-17-6-4-15/h1-2,7H,3-6H2,(H,14,16).
What are the key properties of N-(3,4-dichlorophenyl)thiomorpholine-4-carboxamide?
N-(3,4-dichlorophenyl)thiomorpholine-4-carboxamide has a molecular weight of 291.20 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)thiomorpholine-4-carboxamide is sourced from PubChem (CID 1225683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).