propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate

C10H15NO3S — CID 106434937

IUPACpropan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
SMILESCC(C)OC(=O)NCC(O)c1ccsc1
InChIInChI=1S/C10H15NO3S/c1-7(2)14-10(13)11-5-9(12)8-3-4-15-6-8/h3-4,6-7,9,12H,5H2,1-2H3,(H,11,13)
InChIKeyLWVASXFLVLLYTK-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.92
Rot. Bonds4

About propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate

propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate (PubChem CID 106434937) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
PubChem CID106434937
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Namepropan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
SMILESCC(C)OC(=O)NCC(O)c1ccsc1
InChIInChI=1S/C10H15NO3S/c1-7(2)14-10(13)11-5-9(12)8-3-4-15-6-8/h3-4,6-7,9,12H,5H2,1-2H3,(H,11,13)
InChIKeyLWVASXFLVLLYTK-UHFFFAOYSA-N
XLogP1.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide
CID 106435392
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide
CID 106435391
2-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103771707
1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441023
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
CID 103686059
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide
CID 90496631
(2S)-2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylpentanamide
CID 113267099
1-[1-(3,5-dimethylphenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441038
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-propan-2-ylpropanamide
CID 114188547
3-(ethylamino)-N-(2-hydroxy-2-thiophen-3-ylethyl)butanamide
CID 106435427
N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propan-2-ylthiophene-2-carboxamide
CID 111441647

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate?
The IUPAC name of propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate (CID 106434937) is propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate.
What is the SMILES notation for propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate?
The canonical SMILES for propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate is CC(C)OC(=O)NCC(O)c1ccsc1.
What is the InChIKey of propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate?
The InChIKey is LWVASXFLVLLYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-7(2)14-10(13)11-5-9(12)8-3-4-15-6-8/h3-4,6-7,9,12H,5H2,1-2H3,(H,11,13).
What are the key properties of propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate?
propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate has a molecular weight of 229.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate is sourced from PubChem (CID 106434937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).