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

C8H9NO2S — CID 102548401

IUPACN-(oxiran-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCC1CO1)c1cccs1
InChIInChI=1S/C8H9NO2S/c10-8(7-2-1-3-12-7)9-4-6-5-11-6/h1-3,6H,4-5H2,(H,9,10)
InChIKeySKAIURPHIACWKB-UHFFFAOYSA-N
MW183.23 g/mol
LogP0.88
Rot. Bonds3

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

N-(oxiran-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 102548401) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is N-(oxiran-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(oxiran-2-ylmethyl)thiophene-2-carboxamide
PubChem CID102548401
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC NameN-(oxiran-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCC1CO1)c1cccs1
InChIInChI=1S/C8H9NO2S/c10-8(7-2-1-3-12-7)9-4-6-5-11-6/h1-3,6H,4-5H2,(H,9,10)
InChIKeySKAIURPHIACWKB-UHFFFAOYSA-N
XLogP0.88
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 50.88
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-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(thiophene-2-carbonyl)benzamide
CID 97013902
N-[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 40972437
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]thiophene-2-carboxamide
CID 35362501
3-methyl-N-(oxiran-2-ylmethyl)thiophene-2-carboxamide
CID 102548440
N-[(3-benzyl-1,2-oxazolidin-5-yl)methyl]thiophene-2-carboxamide
CID 155019206
N-[2-(oxan-2-yl)ethyl]thiophene-2-carboxamide
CID 103993193
N-(pyrrolidin-3-ylmethyl)thiophene-2-carboxamide
CID 71645410
N-[(2-chlorocyclopentyl)methyl]thiophene-2-carboxamide
CID 114302998
N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75536598
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]thiophene-2-carboxamide
CID 98153739
N-[4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]thiophene-2-carboxamide
CID 162969601
methyl 2-[(thiophene-2-carbonylamino)methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
CID 46085576

Frequently Asked Questions

What is the IUPAC name of N-(oxiran-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-(oxiran-2-ylmethyl)thiophene-2-carboxamide (CID 102548401) is N-(oxiran-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(oxiran-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(oxiran-2-ylmethyl)thiophene-2-carboxamide is O=C(NCC1CO1)c1cccs1.
What is the InChIKey of N-(oxiran-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is SKAIURPHIACWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c10-8(7-2-1-3-12-7)9-4-6-5-11-6/h1-3,6H,4-5H2,(H,9,10).
What are the key properties of N-(oxiran-2-ylmethyl)thiophene-2-carboxamide?
N-(oxiran-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 183.23 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxiran-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 102548401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).