N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide

C10H13NO2S — CID 94256516

IUPACN-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide
SMILESO=C(NC[C@H](O)c1cccs1)C1CC1
InChIInChI=1S/C10H13NO2S/c12-8(9-2-1-5-14-9)6-11-10(13)7-3-4-7/h1-2,5,7-8,12H,3-4,6H2,(H,11,13)/t8-/m0/s1
InChIKeyPPGWWWBYAKANGO-QMMMGPOBSA-N
MW211.29 g/mol
LogP1.31
Rot. Bonds4

About N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide

N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide (PubChem CID 94256516) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide
PubChem CID94256516
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC NameN-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide
SMILESO=C(NC[C@H](O)c1cccs1)C1CC1
InChIInChI=1S/C10H13NO2S/c12-8(9-2-1-5-14-9)6-11-10(13)7-3-4-7/h1-2,5,7-8,12H,3-4,6H2,(H,11,13)/t8-/m0/s1
InChIKeyPPGWWWBYAKANGO-QMMMGPOBSA-N
XLogP1.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide (CID 94256516) is N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide is O=C(NC[C@H](O)c1cccs1)C1CC1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide?
The InChIKey is PPGWWWBYAKANGO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-8(9-2-1-5-14-9)6-11-10(13)7-3-4-7/h1-2,5,7-8,12H,3-4,6H2,(H,11,13)/t8-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide?
N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide has a molecular weight of 211.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide is sourced from PubChem (CID 94256516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).