N-[2-(hydroxymethyl)thiophen-3-yl]acetamide

C7H9NO2S — CID 66385012

IUPACN-[2-(hydroxymethyl)thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CO
InChIInChI=1S/C7H9NO2S/c1-5(10)8-6-2-3-11-7(6)4-9/h2-3,9H,4H2,1H3,(H,8,10)
InChIKeyNFCIPZUFLGDKIX-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.20
Rot. Bonds2

About N-[2-(hydroxymethyl)thiophen-3-yl]acetamide

N-[2-(hydroxymethyl)thiophen-3-yl]acetamide (PubChem CID 66385012) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)thiophen-3-yl]acetamide
PubChem CID66385012
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC NameN-[2-(hydroxymethyl)thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CO
InChIInChI=1S/C7H9NO2S/c1-5(10)8-6-2-3-11-7(6)4-9/h2-3,9H,4H2,1H3,(H,8,10)
InChIKeyNFCIPZUFLGDKIX-UHFFFAOYSA-N
XLogP1.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)thiophen-3-yl]acetamide?
The IUPAC name of N-[2-(hydroxymethyl)thiophen-3-yl]acetamide (CID 66385012) is N-[2-(hydroxymethyl)thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-(hydroxymethyl)thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-(hydroxymethyl)thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CO.
What is the InChIKey of N-[2-(hydroxymethyl)thiophen-3-yl]acetamide?
The InChIKey is NFCIPZUFLGDKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-5(10)8-6-2-3-11-7(6)4-9/h2-3,9H,4H2,1H3,(H,8,10).
What are the key properties of N-[2-(hydroxymethyl)thiophen-3-yl]acetamide?
N-[2-(hydroxymethyl)thiophen-3-yl]acetamide has a molecular weight of 171.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)thiophen-3-yl]acetamide is sourced from PubChem (CID 66385012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).