N-[(2S)-1-hydroxypropan-2-yl]-2-thiophen-3-ylpropanamide

C10H15NO2S — CID 75430621

IUPACN-[(2S)-1-hydroxypropan-2-yl]-2-thiophen-3-ylpropanamide
SMILESCC(C(=O)N[C@@H](C)CO)c1ccsc1
InChIInChI=1S/C10H15NO2S/c1-7(5-12)11-10(13)8(2)9-3-4-14-6-9/h3-4,6-8,12H,5H2,1-2H3,(H,11,13)/t7-,8?/m0/s1
InChIKeyUQHSDSSJZUSCPL-JAMMHHFISA-N
MW213.30 g/mol
LogP1.35
Rot. Bonds4

About N-[(2S)-1-hydroxypropan-2-yl]-2-thiophen-3-ylpropanamide

N-[(2S)-1-hydroxypropan-2-yl]-2-thiophen-3-ylpropanamide (PubChem CID 75430621) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-2-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]-2-thiophen-3-ylpropanamide
PubChem CID75430621
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]-2-thiophen-3-ylpropanamide
SMILESCC(C(=O)N[C@@H](C)CO)c1ccsc1
InChIInChI=1S/C10H15NO2S/c1-7(5-12)11-10(13)8(2)9-3-4-14-6-9/h3-4,6-8,12H,5H2,1-2H3,(H,11,13)/t7-,8?/m0/s1
InChIKeyUQHSDSSJZUSCPL-JAMMHHFISA-N
XLogP1.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-2-thiophen-3-ylpropanamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-2-thiophen-3-ylpropanamide (CID 75430621) is N-[(2S)-1-hydroxypropan-2-yl]-2-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-2-thiophen-3-ylpropanamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-2-thiophen-3-ylpropanamide is CC(C(=O)N[C@@H](C)CO)c1ccsc1.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-2-thiophen-3-ylpropanamide?
The InChIKey is UQHSDSSJZUSCPL-JAMMHHFISA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7(5-12)11-10(13)8(2)9-3-4-14-6-9/h3-4,6-8,12H,5H2,1-2H3,(H,11,13)/t7-,8?/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-2-thiophen-3-ylpropanamide?
N-[(2S)-1-hydroxypropan-2-yl]-2-thiophen-3-ylpropanamide has a molecular weight of 213.30 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]-2-thiophen-3-ylpropanamide is sourced from PubChem (CID 75430621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).