N-(2,6-dichlorophenyl)-5-oxothiomorpholine-3-carboxamide

C11H10Cl2N2O2S — CID 110695618

IUPACN-(2,6-dichlorophenyl)-5-oxothiomorpholine-3-carboxamide
SMILESO=C1CSCC(C(=O)Nc2c(Cl)cccc2Cl)N1
InChIInChI=1S/C11H10Cl2N2O2S/c12-6-2-1-3-7(13)10(6)15-11(17)8-4-18-5-9(16)14-8/h1-3,8H,4-5H2,(H,14,16)(H,15,17)
InChIKeyITBKUMLLGCGPJA-UHFFFAOYSA-N
MW305.19 g/mol
LogP2.16
Rot. Bonds2

About N-(2,6-dichlorophenyl)-5-oxothiomorpholine-3-carboxamide

N-(2,6-dichlorophenyl)-5-oxothiomorpholine-3-carboxamide (PubChem CID 110695618) has the molecular formula C11H10Cl2N2O2S and a molecular weight of 305.19 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-5-oxothiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-5-oxothiomorpholine-3-carboxamide
PubChem CID110695618
Molecular FormulaC11H10Cl2N2O2S
Molecular Weight305.19 g/mol
Exact Mass303.98
IUPAC NameN-(2,6-dichlorophenyl)-5-oxothiomorpholine-3-carboxamide
SMILESO=C1CSCC(C(=O)Nc2c(Cl)cccc2Cl)N1
InChIInChI=1S/C11H10Cl2N2O2S/c12-6-2-1-3-7(13)10(6)15-11(17)8-4-18-5-9(16)14-8/h1-3,8H,4-5H2,(H,14,16)(H,15,17)
InChIKeyITBKUMLLGCGPJA-UHFFFAOYSA-N
XLogP2.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-5-oxothiomorpholine-3-carboxamide
CID 110695548
N-(4-carbamoylphenyl)-5-oxothiomorpholine-3-carboxamide
CID 110695567
N-[4-(diethylamino)phenyl]-5-oxothiomorpholine-3-carboxamide
CID 110695578
N-(2,6-dichlorophenyl)cyclohexanecarboxamide
CID 897145
N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxothiomorpholine-3-carboxamide
CID 110695610
N-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide
CID 110695445
(3S)-5-oxo-N-phenyl-1,4-thiazepane-3-carboxamide
CID 100816227
(2R)-N-(2-chloro-6-methylphenyl)pyrrolidine-2-carboxamide
CID 104901241
3,6-dichloro-2-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid
CID 107048504
(2R)-N-[2-chloro-6-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 28951007
N-(2,6-dichlorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112525347
N-(2,6-dichlorophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779613

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-5-oxothiomorpholine-3-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-5-oxothiomorpholine-3-carboxamide (CID 110695618) is N-(2,6-dichlorophenyl)-5-oxothiomorpholine-3-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-5-oxothiomorpholine-3-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-5-oxothiomorpholine-3-carboxamide is O=C1CSCC(C(=O)Nc2c(Cl)cccc2Cl)N1.
What is the InChIKey of N-(2,6-dichlorophenyl)-5-oxothiomorpholine-3-carboxamide?
The InChIKey is ITBKUMLLGCGPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2S/c12-6-2-1-3-7(13)10(6)15-11(17)8-4-18-5-9(16)14-8/h1-3,8H,4-5H2,(H,14,16)(H,15,17).
What are the key properties of N-(2,6-dichlorophenyl)-5-oxothiomorpholine-3-carboxamide?
N-(2,6-dichlorophenyl)-5-oxothiomorpholine-3-carboxamide has a molecular weight of 305.19 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-5-oxothiomorpholine-3-carboxamide is sourced from PubChem (CID 110695618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).