N-phenylthiomorpholine-4-carboxamide

C11H14N2OS — CID 831798

IUPACN-phenylthiomorpholine-4-carboxamide
SMILESO=C(Nc1ccccc1)N1CCSCC1
InChIInChI=1S/C11H14N2OS/c14-11(13-6-8-15-9-7-13)12-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,12,14)
InChIKeyKEZCCMZQRAUQIU-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.27
Rot. Bonds1

About N-phenylthiomorpholine-4-carboxamide

N-phenylthiomorpholine-4-carboxamide (PubChem CID 831798) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-phenylthiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-phenylthiomorpholine-4-carboxamide
PubChem CID831798
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-phenylthiomorpholine-4-carboxamide
SMILESO=C(Nc1ccccc1)N1CCSCC1
InChIInChI=1S/C11H14N2OS/c14-11(13-6-8-15-9-7-13)12-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,12,14)
InChIKeyKEZCCMZQRAUQIU-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenylthiomorpholine-4-carboxamide?
The IUPAC name of N-phenylthiomorpholine-4-carboxamide (CID 831798) is N-phenylthiomorpholine-4-carboxamide.
What is the SMILES notation for N-phenylthiomorpholine-4-carboxamide?
The canonical SMILES for N-phenylthiomorpholine-4-carboxamide is O=C(Nc1ccccc1)N1CCSCC1.
What is the InChIKey of N-phenylthiomorpholine-4-carboxamide?
The InChIKey is KEZCCMZQRAUQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c14-11(13-6-8-15-9-7-13)12-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,12,14).
What are the key properties of N-phenylthiomorpholine-4-carboxamide?
N-phenylthiomorpholine-4-carboxamide has a molecular weight of 222.31 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylthiomorpholine-4-carboxamide is sourced from PubChem (CID 831798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).