N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide

C12H17NO2S — CID 93174433

IUPACN-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NC[C@@H]1CCCO1
InChIInChI=1S/C12H17NO2S/c14-12(6-5-11-4-2-8-16-11)13-9-10-3-1-7-15-10/h2,4,8,10H,1,3,5-7,9H2,(H,13,14)/t10-/m0/s1
InChIKeyRUHKZFHLUNDFKE-JTQLQIEISA-N
MW239.34 g/mol
LogP1.98
Rot. Bonds5

About N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide

N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide (PubChem CID 93174433) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide
PubChem CID93174433
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NC[C@@H]1CCCO1
InChIInChI=1S/C12H17NO2S/c14-12(6-5-11-4-2-8-16-11)13-9-10-3-1-7-15-10/h2,4,8,10H,1,3,5-7,9H2,(H,13,14)/t10-/m0/s1
InChIKeyRUHKZFHLUNDFKE-JTQLQIEISA-N
XLogP1.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide
CID 2530381
N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 47006892
N-(oxolan-2-ylmethyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335177
N-(oxolan-2-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18102026
N-[(4-methylmorpholin-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110710235
N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-yl)propanamide
CID 90013649
N-(oxolan-2-ylmethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185585
N-[[(2S)-oxolan-2-yl]methyl]-3-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propanamide
CID 136858480
1-(oxolan-2-ylmethyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2956318
1-[[(2S)-oxolan-2-yl]methyl]-3-(thiophen-2-ylmethyl)thiourea
CID 970924
(E)-N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 896790
N-[(3-hydroxycyclohexyl)methyl]-3-thiophen-2-ylpropanamide
CID 111460498

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide (CID 93174433) is N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)NC[C@@H]1CCCO1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide?
The InChIKey is RUHKZFHLUNDFKE-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO2S/c14-12(6-5-11-4-2-8-16-11)13-9-10-3-1-7-15-10/h2,4,8,10H,1,3,5-7,9H2,(H,13,14)/t10-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide?
N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide has a molecular weight of 239.34 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 93174433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).