2-(2-methylphenyl)thiomorpholine-4-carboxamide

C12H16N2OS — CID 134584430

IUPAC2-(2-methylphenyl)thiomorpholine-4-carboxamide
SMILESCc1ccccc1C1CN(C(N)=O)CCS1
InChIInChI=1S/C12H16N2OS/c1-9-4-2-3-5-10(9)11-8-14(12(13)15)6-7-16-11/h2-5,11H,6-8H2,1H3,(H2,13,15)
InChIKeyFOJHQEXOUTZHKB-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.16
Rot. Bonds1

About 2-(2-methylphenyl)thiomorpholine-4-carboxamide

2-(2-methylphenyl)thiomorpholine-4-carboxamide (PubChem CID 134584430) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-(2-methylphenyl)thiomorpholine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylphenyl)thiomorpholine-4-carboxamide
PubChem CID134584430
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-(2-methylphenyl)thiomorpholine-4-carboxamide
SMILESCc1ccccc1C1CN(C(N)=O)CCS1
InChIInChI=1S/C12H16N2OS/c1-9-4-2-3-5-10(9)11-8-14(12(13)15)6-7-16-11/h2-5,11H,6-8H2,1H3,(H2,13,15)
InChIKeyFOJHQEXOUTZHKB-UHFFFAOYSA-N
XLogP2.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)thiomorpholine-4-carboxamide?
The IUPAC name of 2-(2-methylphenyl)thiomorpholine-4-carboxamide (CID 134584430) is 2-(2-methylphenyl)thiomorpholine-4-carboxamide.
What is the SMILES notation for 2-(2-methylphenyl)thiomorpholine-4-carboxamide?
The canonical SMILES for 2-(2-methylphenyl)thiomorpholine-4-carboxamide is Cc1ccccc1C1CN(C(N)=O)CCS1.
What is the InChIKey of 2-(2-methylphenyl)thiomorpholine-4-carboxamide?
The InChIKey is FOJHQEXOUTZHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-9-4-2-3-5-10(9)11-8-14(12(13)15)6-7-16-11/h2-5,11H,6-8H2,1H3,(H2,13,15).
What are the key properties of 2-(2-methylphenyl)thiomorpholine-4-carboxamide?
2-(2-methylphenyl)thiomorpholine-4-carboxamide has a molecular weight of 236.34 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)thiomorpholine-4-carboxamide is sourced from PubChem (CID 134584430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).