N-[(1S)-2,2,2-trichloro-1-morpholin-4-ylethyl]thiophene-2-carboxamide

C11H13Cl3N2O2S — CID 821607

IUPACN-[(1S)-2,2,2-trichloro-1-morpholin-4-ylethyl]thiophene-2-carboxamide
SMILESO=C(N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl)c1cccs1
InChIInChI=1S/C11H13Cl3N2O2S/c12-11(13,14)10(16-3-5-18-6-4-16)15-9(17)8-2-1-7-19-8/h1-2,7,10H,3-6H2,(H,15,17)/t10-/m0/s1
InChIKeyLUEPPXUOEIRTKP-JTQLQIEISA-N
MW343.66 g/mol
LogP2.51
Rot. Bonds3

About N-[(1S)-2,2,2-trichloro-1-morpholin-4-ylethyl]thiophene-2-carboxamide

N-[(1S)-2,2,2-trichloro-1-morpholin-4-ylethyl]thiophene-2-carboxamide (PubChem CID 821607) has the molecular formula C11H13Cl3N2O2S and a molecular weight of 343.66 g/mol. Its IUPAC name is N-[(1S)-2,2,2-trichloro-1-morpholin-4-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2,2,2-trichloro-1-morpholin-4-ylethyl]thiophene-2-carboxamide
PubChem CID821607
Molecular FormulaC11H13Cl3N2O2S
Molecular Weight343.66 g/mol
Exact Mass341.98
IUPAC NameN-[(1S)-2,2,2-trichloro-1-morpholin-4-ylethyl]thiophene-2-carboxamide
SMILESO=C(N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl)c1cccs1
InChIInChI=1S/C11H13Cl3N2O2S/c12-11(13,14)10(16-3-5-18-6-4-16)15-9(17)8-2-1-7-19-8/h1-2,7,10H,3-6H2,(H,15,17)/t10-/m0/s1
InChIKeyLUEPPXUOEIRTKP-JTQLQIEISA-N
XLogP2.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.66
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,2,2-trichloro-1-morpholin-4-ylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1S)-2,2,2-trichloro-1-morpholin-4-ylethyl]thiophene-2-carboxamide (CID 821607) is N-[(1S)-2,2,2-trichloro-1-morpholin-4-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-2,2,2-trichloro-1-morpholin-4-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-2,2,2-trichloro-1-morpholin-4-ylethyl]thiophene-2-carboxamide is O=C(N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl)c1cccs1.
What is the InChIKey of N-[(1S)-2,2,2-trichloro-1-morpholin-4-ylethyl]thiophene-2-carboxamide?
The InChIKey is LUEPPXUOEIRTKP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13Cl3N2O2S/c12-11(13,14)10(16-3-5-18-6-4-16)15-9(17)8-2-1-7-19-8/h1-2,7,10H,3-6H2,(H,15,17)/t10-/m0/s1.
What are the key properties of N-[(1S)-2,2,2-trichloro-1-morpholin-4-ylethyl]thiophene-2-carboxamide?
N-[(1S)-2,2,2-trichloro-1-morpholin-4-ylethyl]thiophene-2-carboxamide has a molecular weight of 343.66 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,2,2-trichloro-1-morpholin-4-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 821607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).