N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C10H11NO3S — CID 29447949

IUPACN-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCc1cccs1)C1=COCCO1
InChIInChI=1S/C10H11NO3S/c12-10(9-7-13-3-4-14-9)11-6-8-2-1-5-15-8/h1-2,5,7H,3-4,6H2,(H,11,12)
InChIKeyPFDPZDYOZATTJK-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.25
Rot. Bonds3

About N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 29447949) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID29447949
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC NameN-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCc1cccs1)C1=COCCO1
InChIInChI=1S/C10H11NO3S/c12-10(9-7-13-3-4-14-9)11-6-8-2-1-5-15-8/h1-2,5,7H,3-4,6H2,(H,11,12)
InChIKeyPFDPZDYOZATTJK-UHFFFAOYSA-N
XLogP1.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 7732666
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 124581557
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 106385305
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24551070
N-[4-(thiophen-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 20954858
N-[(4-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24575317
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829
N-[2-(4-aminophenyl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 63237622
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 29447949) is N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(NCc1cccs1)C1=COCCO1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is PFDPZDYOZATTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c12-10(9-7-13-3-4-14-9)11-6-8-2-1-5-15-8/h1-2,5,7H,3-4,6H2,(H,11,12).
What are the key properties of N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 225.27 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 29447949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).