(E)-N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide

C12H15NO2S — CID 896790

IUPAC(E)-N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NC[C@@H]1CCCO1
InChIInChI=1S/C12H15NO2S/c14-12(6-5-11-4-2-8-16-11)13-9-10-3-1-7-15-10/h2,4-6,8,10H,1,3,7,9H2,(H,13,14)/b6-5+/t10-/m0/s1
InChIKeyXBRMYHOFSPOFPL-PORFMDCZSA-N
MW237.32 g/mol
LogP2.06
Rot. Bonds4

About (E)-N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 896790) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is (E)-N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID896790
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name(E)-N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NC[C@@H]1CCCO1
InChIInChI=1S/C12H15NO2S/c14-12(6-5-11-4-2-8-16-11)13-9-10-3-1-7-15-10/h2,4-6,8,10H,1,3,7,9H2,(H,13,14)/b6-5+/t10-/m0/s1
InChIKeyXBRMYHOFSPOFPL-PORFMDCZSA-N
XLogP2.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(5-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 51148126
(E)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-3-thiophen-2-ylprop-2-enamide
CID 6346464
N-(piperidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 76922768
N-[2-[4-methyl-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-thiophen-2-ylprop-2-enamide
CID 75100610
(E)-3-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 825443
N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide
CID 93174433
N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 47006892
(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 43072228
(E)-3-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 47136479
(E)-3-(3-bromophenyl)-N-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide
CID 7964689
4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide
CID 2530381
1-[[(2R)-oxolan-2-yl]methyl]-3-[(Z)-thiophen-2-ylmethylideneamino]thiourea
CID 9410123

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide (CID 896790) is (E)-N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)NC[C@@H]1CCCO1.
What is the InChIKey of (E)-N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is XBRMYHOFSPOFPL-PORFMDCZSA-N. The full InChI is InChI=1S/C12H15NO2S/c14-12(6-5-11-4-2-8-16-11)13-9-10-3-1-7-15-10/h2,4-6,8,10H,1,3,7,9H2,(H,13,14)/b6-5+/t10-/m0/s1.
What are the key properties of (E)-N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 237.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 896790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).