3-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide

C11H15NO2S — CID 30478983

IUPAC3-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C11H15NO2S/c1-8-4-6-15-10(8)11(13)12-7-9-3-2-5-14-9/h4,6,9H,2-3,5,7H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyYFJAXMPRQWEIOF-SECBINFHSA-N
MW225.31 g/mol
LogP1.97
Rot. Bonds3

About 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide

3-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 30478983) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
PubChem CID30478983
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name3-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C11H15NO2S/c1-8-4-6-15-10(8)11(13)12-7-9-3-2-5-14-9/h4,6,9H,2-3,5,7H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyYFJAXMPRQWEIOF-SECBINFHSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide (CID 30478983) is 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)NC[C@H]1CCCO1.
What is the InChIKey of 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is YFJAXMPRQWEIOF-SECBINFHSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8-4-6-15-10(8)11(13)12-7-9-3-2-5-14-9/h4,6,9H,2-3,5,7H2,1H3,(H,12,13)/t9-/m1/s1.
What are the key properties of 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide?
3-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 225.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 30478983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).