N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide

C12H19NO2S — CID 111452293

IUPACN-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(C)(O)c1ccsc1
InChIInChI=1S/C12H19NO2S/c1-11(2,3)10(14)13-8-12(4,15)9-5-6-16-7-9/h5-7,15H,8H2,1-4H3,(H,13,14)
InChIKeyYJDHQTJKCKLNER-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.12
Rot. Bonds3

About N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide

N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide (PubChem CID 111452293) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
PubChem CID111452293
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(C)(O)c1ccsc1
InChIInChI=1S/C12H19NO2S/c1-11(2,3)10(14)13-8-12(4,15)9-5-6-16-7-9/h5-7,15H,8H2,1-4H3,(H,13,14)
InChIKeyYJDHQTJKCKLNER-UHFFFAOYSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpropanamide
CID 111519809
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
CID 111452236
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-methylbut-2-enamide
CID 96567087
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea
CID 111450609
(2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111840791
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
3-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452313
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-pentylurea
CID 111450359
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-methylthiophene-2-carboxamide
CID 111452322
2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)cyclopropane-1-carboxamide
CID 71979797
N-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide
CID 111452151

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide (CID 111452293) is N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC(C)(O)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide?
The InChIKey is YJDHQTJKCKLNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-11(2,3)10(14)13-8-12(4,15)9-5-6-16-7-9/h5-7,15H,8H2,1-4H3,(H,13,14).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide?
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide has a molecular weight of 241.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 111452293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).