N-(3-hydroxy-3-thiophen-3-ylpropyl)cyclohex-3-ene-1-carboxamide

C14H19NO2S — CID 86264119

IUPACN-(3-hydroxy-3-thiophen-3-ylpropyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NCCC(O)c1ccsc1)C1CC=CCC1
InChIInChI=1S/C14H19NO2S/c16-13(12-7-9-18-10-12)6-8-15-14(17)11-4-2-1-3-5-11/h1-2,7,9-11,13,16H,3-6,8H2,(H,15,17)
InChIKeyHOESVCJJUDOJMW-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.64
Rot. Bonds5

About N-(3-hydroxy-3-thiophen-3-ylpropyl)cyclohex-3-ene-1-carboxamide

N-(3-hydroxy-3-thiophen-3-ylpropyl)cyclohex-3-ene-1-carboxamide (PubChem CID 86264119) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(3-hydroxy-3-thiophen-3-ylpropyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-3-ylpropyl)cyclohex-3-ene-1-carboxamide
PubChem CID86264119
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-(3-hydroxy-3-thiophen-3-ylpropyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NCCC(O)c1ccsc1)C1CC=CCC1
InChIInChI=1S/C14H19NO2S/c16-13(12-7-9-18-10-12)6-8-15-14(17)11-4-2-1-3-5-11/h1-2,7,9-11,13,16H,3-6,8H2,(H,15,17)
InChIKeyHOESVCJJUDOJMW-UHFFFAOYSA-N
XLogP2.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-thiophen-3-ylpropyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-3-ylpropyl)cyclohex-3-ene-1-carboxamide (CID 86264119) is N-(3-hydroxy-3-thiophen-3-ylpropyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-3-ylpropyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-3-ylpropyl)cyclohex-3-ene-1-carboxamide is O=C(NCCC(O)c1ccsc1)C1CC=CCC1.
What is the InChIKey of N-(3-hydroxy-3-thiophen-3-ylpropyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is HOESVCJJUDOJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-13(12-7-9-18-10-12)6-8-15-14(17)11-4-2-1-3-5-11/h1-2,7,9-11,13,16H,3-6,8H2,(H,15,17).
What are the key properties of N-(3-hydroxy-3-thiophen-3-ylpropyl)cyclohex-3-ene-1-carboxamide?
N-(3-hydroxy-3-thiophen-3-ylpropyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-thiophen-3-ylpropyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 86264119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).