N-(4-chlorophenyl)thiomorpholine-4-carboxamide

C11H13ClN2OS — CID 757063

IUPACN-(4-chlorophenyl)thiomorpholine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCSCC1
InChIInChI=1S/C11H13ClN2OS/c12-9-1-3-10(4-2-9)13-11(15)14-5-7-16-8-6-14/h1-4H,5-8H2,(H,13,15)
InChIKeyPLGNPECZHXQBNR-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.92
Rot. Bonds1

About N-(4-chlorophenyl)thiomorpholine-4-carboxamide

N-(4-chlorophenyl)thiomorpholine-4-carboxamide (PubChem CID 757063) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)thiomorpholine-4-carboxamide
PubChem CID757063
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC NameN-(4-chlorophenyl)thiomorpholine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCSCC1
InChIInChI=1S/C11H13ClN2OS/c12-9-1-3-10(4-2-9)13-11(15)14-5-7-16-8-6-14/h1-4H,5-8H2,(H,13,15)
InChIKeyPLGNPECZHXQBNR-UHFFFAOYSA-N
XLogP2.92
TPSA32.34 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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)thiomorpholine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)thiomorpholine-4-carboxamide (CID 757063) is N-(4-chlorophenyl)thiomorpholine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)thiomorpholine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)thiomorpholine-4-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCSCC1.
What is the InChIKey of N-(4-chlorophenyl)thiomorpholine-4-carboxamide?
The InChIKey is PLGNPECZHXQBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c12-9-1-3-10(4-2-9)13-11(15)14-5-7-16-8-6-14/h1-4H,5-8H2,(H,13,15).
What are the key properties of N-(4-chlorophenyl)thiomorpholine-4-carboxamide?
N-(4-chlorophenyl)thiomorpholine-4-carboxamide has a molecular weight of 256.76 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)thiomorpholine-4-carboxamide is sourced from PubChem (CID 757063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).