(3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide

C9H13NO2S — CID 141411439

IUPAC(3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide
SMILESCN(C)C(=O)C[C@@H](O)c1cccs1
InChIInChI=1S/C9H13NO2S/c1-10(2)9(12)6-7(11)8-4-3-5-13-8/h3-5,7,11H,6H2,1-2H3/t7-/m1/s1
InChIKeyRTLBHLKIXYZNES-SSDOTTSWSA-N
MW199.28 g/mol
LogP1.26
Rot. Bonds3

About (3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide

(3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide (PubChem CID 141411439) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is (3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide
PubChem CID141411439
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name(3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide
SMILESCN(C)C(=O)C[C@@H](O)c1cccs1
InChIInChI=1S/C9H13NO2S/c1-10(2)9(12)6-7(11)8-4-3-5-13-8/h3-5,7,11H,6H2,1-2H3/t7-/m1/s1
InChIKeyRTLBHLKIXYZNES-SSDOTTSWSA-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

[3-(dimethylamino)-3-oxo-1-thiophen-2-ylpropyl]carbamic acid
CID 67423103
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide
CID 110663586
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbutanamide
CID 110663588
N-(3-hydroxy-3-thiophen-2-ylpropyl)-N-methylbutanamide
CID 23069586
3-tert-butyl-1-(2-hydroxy-2-thiophen-2-ylethyl)-1-methylurea
CID 110663757
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylthiophene-2-carboxamide
CID 110663600
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
N-[(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-N-methylnitrous amide
CID 169444537
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide
CID 90523992
3-amino-N',N'-dimethyl-3-thiophen-2-ylpropanehydrazide
CID 116849992
2-bromo-1-thiophen-2-ylethanol
CID 22324999
(1S)-2-chloro-1-thiophen-2-ylethanol
CID 15981658

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide?
The IUPAC name of (3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide (CID 141411439) is (3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide?
The canonical SMILES for (3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide is CN(C)C(=O)C[C@@H](O)c1cccs1.
What is the InChIKey of (3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide?
The InChIKey is RTLBHLKIXYZNES-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-10(2)9(12)6-7(11)8-4-3-5-13-8/h3-5,7,11H,6H2,1-2H3/t7-/m1/s1.
What are the key properties of (3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide?
(3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide 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 (3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 141411439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).