N-[2-(3,6-dihydro-2H-thiopyran-2-yl)phenyl]-N-methylacetamide

C14H17NOS — CID 10538464

IUPACN-[2-(3,6-dihydro-2H-thiopyran-2-yl)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccccc1C1CC=CCS1
InChIInChI=1S/C14H17NOS/c1-11(16)15(2)13-8-4-3-7-12(13)14-9-5-6-10-17-14/h3-8,14H,9-10H2,1-2H3
InChIKeyGXIPELDMNOMJAF-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.40
Rot. Bonds2

About N-[2-(3,6-dihydro-2H-thiopyran-2-yl)phenyl]-N-methylacetamide

N-[2-(3,6-dihydro-2H-thiopyran-2-yl)phenyl]-N-methylacetamide (PubChem CID 10538464) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-thiopyran-2-yl)phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-thiopyran-2-yl)phenyl]-N-methylacetamide
PubChem CID10538464
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC NameN-[2-(3,6-dihydro-2H-thiopyran-2-yl)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccccc1C1CC=CCS1
InChIInChI=1S/C14H17NOS/c1-11(16)15(2)13-8-4-3-7-12(13)14-9-5-6-10-17-14/h3-8,14H,9-10H2,1-2H3
InChIKeyGXIPELDMNOMJAF-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[2-(3,6-dihydro-2H-thiopyran-2-yl)phenyl]-N-methylacetamide?
The IUPAC name of N-[2-(3,6-dihydro-2H-thiopyran-2-yl)phenyl]-N-methylacetamide (CID 10538464) is N-[2-(3,6-dihydro-2H-thiopyran-2-yl)phenyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-thiopyran-2-yl)phenyl]-N-methylacetamide?
The canonical SMILES for N-[2-(3,6-dihydro-2H-thiopyran-2-yl)phenyl]-N-methylacetamide is CC(=O)N(C)c1ccccc1C1CC=CCS1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-thiopyran-2-yl)phenyl]-N-methylacetamide?
The InChIKey is GXIPELDMNOMJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-11(16)15(2)13-8-4-3-7-12(13)14-9-5-6-10-17-14/h3-8,14H,9-10H2,1-2H3.
What are the key properties of N-[2-(3,6-dihydro-2H-thiopyran-2-yl)phenyl]-N-methylacetamide?
N-[2-(3,6-dihydro-2H-thiopyran-2-yl)phenyl]-N-methylacetamide has a molecular weight of 247.36 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,6-dihydro-2H-thiopyran-2-yl)phenyl]-N-methylacetamide is sourced from PubChem (CID 10538464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).