3-methyl-N-(oxiran-2-ylmethyl)thiophene-2-carboxamide

C9H11NO2S — CID 102548440

IUPAC3-methyl-N-(oxiran-2-ylmethyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCC1CO1
InChIInChI=1S/C9H11NO2S/c1-6-2-3-13-8(6)9(11)10-4-7-5-12-7/h2-3,7H,4-5H2,1H3,(H,10,11)
InChIKeyMAKMZQTXHPBEIQ-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.19
Rot. Bonds3

About 3-methyl-N-(oxiran-2-ylmethyl)thiophene-2-carboxamide

3-methyl-N-(oxiran-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 102548440) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 3-methyl-N-(oxiran-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(oxiran-2-ylmethyl)thiophene-2-carboxamide
PubChem CID102548440
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name3-methyl-N-(oxiran-2-ylmethyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCC1CO1
InChIInChI=1S/C9H11NO2S/c1-6-2-3-13-8(6)9(11)10-4-7-5-12-7/h2-3,7H,4-5H2,1H3,(H,10,11)
InChIKeyMAKMZQTXHPBEIQ-UHFFFAOYSA-N
XLogP1.19
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.19
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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Related Compounds

N-(cyclobutylmethyl)-3-methylthiophene-2-carboxamide
CID 94169217
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylthiophene-2-carboxamide;hydrochloride
CID 120944157
N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485
3-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 71638244
N-(oxiran-2-ylmethyl)thiophene-2-carboxamide
CID 102548401
3-methyl-N-prop-2-ynylthiophene-2-carboxamide
CID 39911816
3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618529
4-methyl-N-[[(2S)-oxiran-2-yl]methyl]benzamide
CID 97180653
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
CID 47344953
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 55388170
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 98623177
3-methyl-N-[[5-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide
CID 45189912

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxiran-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-(oxiran-2-ylmethyl)thiophene-2-carboxamide (CID 102548440) is 3-methyl-N-(oxiran-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(oxiran-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-(oxiran-2-ylmethyl)thiophene-2-carboxamide is Cc1ccsc1C(=O)NCC1CO1.
What is the InChIKey of 3-methyl-N-(oxiran-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is MAKMZQTXHPBEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-6-2-3-13-8(6)9(11)10-4-7-5-12-7/h2-3,7H,4-5H2,1H3,(H,10,11).
What are the key properties of 3-methyl-N-(oxiran-2-ylmethyl)thiophene-2-carboxamide?
3-methyl-N-(oxiran-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 197.26 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxiran-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 102548440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).