N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide

C9H13NO2S — CID 110663586

IUPACN-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide
SMILESCC(=O)N(C)CC(O)c1cccs1
InChIInChI=1S/C9H13NO2S/c1-7(11)10(2)6-8(12)9-4-3-5-13-9/h3-5,8,12H,6H2,1-2H3
InChIKeyNLJFCFGVYKKVDB-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.26
Rot. Bonds3

About N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide

N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide (PubChem CID 110663586) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide
PubChem CID110663586
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide
SMILESCC(=O)N(C)CC(O)c1cccs1
InChIInChI=1S/C9H13NO2S/c1-7(11)10(2)6-8(12)9-4-3-5-13-9/h3-5,8,12H,6H2,1-2H3
InChIKeyNLJFCFGVYKKVDB-UHFFFAOYSA-N
XLogP1.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylthiophene-2-carboxamide
CID 110663600
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbutanamide
CID 110663588
3-tert-butyl-1-(2-hydroxy-2-thiophen-2-ylethyl)-1-methylurea
CID 110663757
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylcyclohexanecarboxamide
CID 110663593
(3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide
CID 141411439
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-1,3-thiazolidine-4-carboxamide
CID 110663570
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbenzenesulfonamide
CID 110663687
N-(3-hydroxy-3-thiophen-2-ylpropyl)-N-methylbutanamide
CID 23069586
1-hydroxy-1-thiophen-2-ylpropan-2-one
CID 15048018
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide
CID 90523992
N-[(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-N-methylnitrous amide
CID 169444537
1-(dimethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride
CID 68828667

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide (CID 110663586) is N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide is CC(=O)N(C)CC(O)c1cccs1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide?
The InChIKey is NLJFCFGVYKKVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-7(11)10(2)6-8(12)9-4-3-5-13-9/h3-5,8,12H,6H2,1-2H3.
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide?
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide has a molecular weight of 199.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide is sourced from PubChem (CID 110663586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).