N-[2-(4H-thiopyran-2-yl)ethyl]acetamide

C9H13NOS — CID 142073135

IUPACN-[2-(4H-thiopyran-2-yl)ethyl]acetamide
SMILESCC(=O)NCCC1=CCC=CS1
InChIInChI=1S/C9H13NOS/c1-8(11)10-6-5-9-4-2-3-7-12-9/h3-4,7H,2,5-6H2,1H3,(H,10,11)
InChIKeyKUFQCWDLGWZYIQ-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.05
Rot. Bonds3

About N-[2-(4H-thiopyran-2-yl)ethyl]acetamide

N-[2-(4H-thiopyran-2-yl)ethyl]acetamide (PubChem CID 142073135) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is N-[2-(4H-thiopyran-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4H-thiopyran-2-yl)ethyl]acetamide
PubChem CID142073135
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC NameN-[2-(4H-thiopyran-2-yl)ethyl]acetamide
SMILESCC(=O)NCCC1=CCC=CS1
InChIInChI=1S/C9H13NOS/c1-8(11)10-6-5-9-4-2-3-7-12-9/h3-4,7H,2,5-6H2,1H3,(H,10,11)
InChIKeyKUFQCWDLGWZYIQ-UHFFFAOYSA-N
XLogP2.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4H-thiopyran-2-yl)ethyl]acetamide?
The IUPAC name of N-[2-(4H-thiopyran-2-yl)ethyl]acetamide (CID 142073135) is N-[2-(4H-thiopyran-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4H-thiopyran-2-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(4H-thiopyran-2-yl)ethyl]acetamide is CC(=O)NCCC1=CCC=CS1.
What is the InChIKey of N-[2-(4H-thiopyran-2-yl)ethyl]acetamide?
The InChIKey is KUFQCWDLGWZYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-8(11)10-6-5-9-4-2-3-7-12-9/h3-4,7H,2,5-6H2,1H3,(H,10,11).
What are the key properties of N-[2-(4H-thiopyran-2-yl)ethyl]acetamide?
N-[2-(4H-thiopyran-2-yl)ethyl]acetamide has a molecular weight of 183.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4H-thiopyran-2-yl)ethyl]acetamide is sourced from PubChem (CID 142073135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).