2-cyclohexylidene-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]acetamide

C15H21NO2S — CID 96567021

IUPAC2-cyclohexylidene-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]acetamide
SMILESC[C@](O)(CNC(=O)C=C1CCCCC1)c1cccs1
InChIInChI=1S/C15H21NO2S/c1-15(18,13-8-5-9-19-13)11-16-14(17)10-12-6-3-2-4-7-12/h5,8-10,18H,2-4,6-7,11H2,1H3,(H,16,17)/t15-/m0/s1
InChIKeyBTJGODPFYZISNE-HNNXBMFYSA-N
MW279.40 g/mol
LogP2.96
Rot. Bonds4

About 2-cyclohexylidene-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]acetamide

2-cyclohexylidene-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]acetamide (PubChem CID 96567021) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-cyclohexylidene-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]acetamide.

Molecular Properties

Compound Name2-cyclohexylidene-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]acetamide
PubChem CID96567021
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name2-cyclohexylidene-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]acetamide
SMILESC[C@](O)(CNC(=O)C=C1CCCCC1)c1cccs1
InChIInChI=1S/C15H21NO2S/c1-15(18,13-8-5-9-19-13)11-16-14(17)10-12-6-3-2-4-7-12/h5,8-10,18H,2-4,6-7,11H2,1H3,(H,16,17)/t15-/m0/s1
InChIKeyBTJGODPFYZISNE-HNNXBMFYSA-N
XLogP2.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylidene-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]acetamide?
The IUPAC name of 2-cyclohexylidene-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]acetamide (CID 96567021) is 2-cyclohexylidene-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]acetamide.
What is the SMILES notation for 2-cyclohexylidene-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]acetamide?
The canonical SMILES for 2-cyclohexylidene-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]acetamide is C[C@](O)(CNC(=O)C=C1CCCCC1)c1cccs1.
What is the InChIKey of 2-cyclohexylidene-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]acetamide?
The InChIKey is BTJGODPFYZISNE-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-15(18,13-8-5-9-19-13)11-16-14(17)10-12-6-3-2-4-7-12/h5,8-10,18H,2-4,6-7,11H2,1H3,(H,16,17)/t15-/m0/s1.
What are the key properties of 2-cyclohexylidene-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]acetamide?
2-cyclohexylidene-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]acetamide has a molecular weight of 279.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidene-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]acetamide is sourced from PubChem (CID 96567021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).