4-methyl-N-(thiophen-3-ylmethyl)oxane-4-carboxamide

C12H17NO2S — CID 118740481

IUPAC4-methyl-N-(thiophen-3-ylmethyl)oxane-4-carboxamide
SMILESCC1(C(=O)NCc2ccsc2)CCOCC1
InChIInChI=1S/C12H17NO2S/c1-12(3-5-15-6-4-12)11(14)13-8-10-2-7-16-9-10/h2,7,9H,3-6,8H2,1H3,(H,13,14)
InChIKeyYWEIPQRJKGCOPA-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.18
Rot. Bonds3

About 4-methyl-N-(thiophen-3-ylmethyl)oxane-4-carboxamide

4-methyl-N-(thiophen-3-ylmethyl)oxane-4-carboxamide (PubChem CID 118740481) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-methyl-N-(thiophen-3-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(thiophen-3-ylmethyl)oxane-4-carboxamide
PubChem CID118740481
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name4-methyl-N-(thiophen-3-ylmethyl)oxane-4-carboxamide
SMILESCC1(C(=O)NCc2ccsc2)CCOCC1
InChIInChI=1S/C12H17NO2S/c1-12(3-5-15-6-4-12)11(14)13-8-10-2-7-16-9-10/h2,7,9H,3-6,8H2,1H3,(H,13,14)
InChIKeyYWEIPQRJKGCOPA-UHFFFAOYSA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]thiophene-3-carboxamide
CID 71916049
N-[(Oxan-4-YL)methyl]thiophene-3-carboxamide
CID 110875679
Ethyl 3-{[(thiophen-3-yl)methyl]carbamoyl}propanoate
CID 45559670
N-(2-((tetrahydro-2H-pyran-4-yl)thio)ethyl)thiophene-3-carboxamide
CID 86265175
N-[(4-Methyloxan-4-YL)methyl]thiophene-3-carboxamide
CID 110875695
N-Methyl-N-[(oxan-4-YL)methyl]thiophene-3-carboxamide
CID 110875749
N-(2-methoxyethyl)-N-[(4-methyltetrahydro-2H-pyran-4-yl)methyl]-3-thiophenecarboxamide
CID 91914948
N-[(3-methylthiophen-2-yl)methyl]oxane-4-carboxamide
CID 32987482
N-[(5-bromothiophen-3-yl)methyl]oxane-4-carboxamide
CID 39819742
2-ethyl-N-(thiophen-3-ylmethyl)butanamide
CID 45559653
3,3-dimethyl-N-(thiophen-3-ylmethyl)butanamide
CID 45559654
N-methyl-N-(thiophen-3-ylmethyl)oxane-4-carboxamide
CID 53512936

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(thiophen-3-ylmethyl)oxane-4-carboxamide?
The IUPAC name of 4-methyl-N-(thiophen-3-ylmethyl)oxane-4-carboxamide (CID 118740481) is 4-methyl-N-(thiophen-3-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-methyl-N-(thiophen-3-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for 4-methyl-N-(thiophen-3-ylmethyl)oxane-4-carboxamide is CC1(C(=O)NCc2ccsc2)CCOCC1.
What is the InChIKey of 4-methyl-N-(thiophen-3-ylmethyl)oxane-4-carboxamide?
The InChIKey is YWEIPQRJKGCOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-12(3-5-15-6-4-12)11(14)13-8-10-2-7-16-9-10/h2,7,9H,3-6,8H2,1H3,(H,13,14).
What are the key properties of 4-methyl-N-(thiophen-3-ylmethyl)oxane-4-carboxamide?
4-methyl-N-(thiophen-3-ylmethyl)oxane-4-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(thiophen-3-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 118740481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).