N-[(Z,3S)-3-(1,3-dioxan-2-yl)-3-hydroxy-1-thiophen-2-ylprop-1-enyl]acetamide

C13H17NO4S — CID 155933351

IUPACN-[(Z,3S)-3-(1,3-dioxan-2-yl)-3-hydroxy-1-thiophen-2-ylprop-1-enyl]acetamide
SMILESCC(=O)N/C(=C\[C@H](O)C1OCCCO1)c1cccs1
InChIInChI=1S/C13H17NO4S/c1-9(15)14-10(12-4-2-7-19-12)8-11(16)13-17-5-3-6-18-13/h2,4,7-8,11,13,16H,3,5-6H2,1H3,(H,14,15)/b10-8-/t11-/m0/s1
InChIKeySPYTYPFUIXQCOF-IEHMKBBKSA-N
MW283.35 g/mol
LogP1.35
Rot. Bonds4

About N-[(Z,3S)-3-(1,3-dioxan-2-yl)-3-hydroxy-1-thiophen-2-ylprop-1-enyl]acetamide

N-[(Z,3S)-3-(1,3-dioxan-2-yl)-3-hydroxy-1-thiophen-2-ylprop-1-enyl]acetamide (PubChem CID 155933351) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[(Z,3S)-3-(1,3-dioxan-2-yl)-3-hydroxy-1-thiophen-2-ylprop-1-enyl]acetamide.

Molecular Properties

Compound NameN-[(Z,3S)-3-(1,3-dioxan-2-yl)-3-hydroxy-1-thiophen-2-ylprop-1-enyl]acetamide
PubChem CID155933351
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC NameN-[(Z,3S)-3-(1,3-dioxan-2-yl)-3-hydroxy-1-thiophen-2-ylprop-1-enyl]acetamide
SMILESCC(=O)N/C(=C\[C@H](O)C1OCCCO1)c1cccs1
InChIInChI=1S/C13H17NO4S/c1-9(15)14-10(12-4-2-7-19-12)8-11(16)13-17-5-3-6-18-13/h2,4,7-8,11,13,16H,3,5-6H2,1H3,(H,14,15)/b10-8-/t11-/m0/s1
InChIKeySPYTYPFUIXQCOF-IEHMKBBKSA-N
XLogP1.35
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(Z,3S)-3-(1,3-dioxan-2-yl)-3-hydroxy-1-thiophen-2-ylprop-1-enyl]acetamide?
The IUPAC name of N-[(Z,3S)-3-(1,3-dioxan-2-yl)-3-hydroxy-1-thiophen-2-ylprop-1-enyl]acetamide (CID 155933351) is N-[(Z,3S)-3-(1,3-dioxan-2-yl)-3-hydroxy-1-thiophen-2-ylprop-1-enyl]acetamide.
What is the SMILES notation for N-[(Z,3S)-3-(1,3-dioxan-2-yl)-3-hydroxy-1-thiophen-2-ylprop-1-enyl]acetamide?
The canonical SMILES for N-[(Z,3S)-3-(1,3-dioxan-2-yl)-3-hydroxy-1-thiophen-2-ylprop-1-enyl]acetamide is CC(=O)N/C(=C\[C@H](O)C1OCCCO1)c1cccs1.
What is the InChIKey of N-[(Z,3S)-3-(1,3-dioxan-2-yl)-3-hydroxy-1-thiophen-2-ylprop-1-enyl]acetamide?
The InChIKey is SPYTYPFUIXQCOF-IEHMKBBKSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-9(15)14-10(12-4-2-7-19-12)8-11(16)13-17-5-3-6-18-13/h2,4,7-8,11,13,16H,3,5-6H2,1H3,(H,14,15)/b10-8-/t11-/m0/s1.
What are the key properties of N-[(Z,3S)-3-(1,3-dioxan-2-yl)-3-hydroxy-1-thiophen-2-ylprop-1-enyl]acetamide?
N-[(Z,3S)-3-(1,3-dioxan-2-yl)-3-hydroxy-1-thiophen-2-ylprop-1-enyl]acetamide has a molecular weight of 283.35 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,3S)-3-(1,3-dioxan-2-yl)-3-hydroxy-1-thiophen-2-ylprop-1-enyl]acetamide is sourced from PubChem (CID 155933351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).