5-chloro-N-[[(2R)-oxiran-2-yl]methyl]thiophene-2-carboxamide

C8H8ClNO2S — CID 11492236

IUPAC5-chloro-N-[[(2R)-oxiran-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@H]1CO1)c1ccc(Cl)s1
InChIInChI=1S/C8H8ClNO2S/c9-7-2-1-6(13-7)8(11)10-3-5-4-12-5/h1-2,5H,3-4H2,(H,10,11)/t5-/m1/s1
InChIKeyLLRCNCXTSFGOGG-RXMQYKEDSA-N
MW217.68 g/mol
LogP1.53
Rot. Bonds3

About 5-chloro-N-[[(2R)-oxiran-2-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[(2R)-oxiran-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 11492236) has the molecular formula C8H8ClNO2S and a molecular weight of 217.68 g/mol. Its IUPAC name is 5-chloro-N-[[(2R)-oxiran-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[(2R)-oxiran-2-yl]methyl]thiophene-2-carboxamide
PubChem CID11492236
Molecular FormulaC8H8ClNO2S
Molecular Weight217.68 g/mol
Exact Mass217.00
IUPAC Name5-chloro-N-[[(2R)-oxiran-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@H]1CO1)c1ccc(Cl)s1
InChIInChI=1S/C8H8ClNO2S/c9-7-2-1-6(13-7)8(11)10-3-5-4-12-5/h1-2,5H,3-4H2,(H,10,11)/t5-/m1/s1
InChIKeyLLRCNCXTSFGOGG-RXMQYKEDSA-N
XLogP1.53
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.68
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(2R)-oxiran-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[(2R)-oxiran-2-yl]methyl]thiophene-2-carboxamide (CID 11492236) is 5-chloro-N-[[(2R)-oxiran-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[(2R)-oxiran-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[(2R)-oxiran-2-yl]methyl]thiophene-2-carboxamide is O=C(NC[C@@H]1CO1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[(2R)-oxiran-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is LLRCNCXTSFGOGG-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H8ClNO2S/c9-7-2-1-6(13-7)8(11)10-3-5-4-12-5/h1-2,5H,3-4H2,(H,10,11)/t5-/m1/s1.
What are the key properties of 5-chloro-N-[[(2R)-oxiran-2-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[(2R)-oxiran-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 217.68 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(2R)-oxiran-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 11492236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).