N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-thiophen-3-ylacetamide

C11H17NO3S — CID 103891021

IUPACN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-thiophen-3-ylacetamide
SMILESCCC(CO)(CO)NC(=O)Cc1ccsc1
InChIInChI=1S/C11H17NO3S/c1-2-11(7-13,8-14)12-10(15)5-9-3-4-16-6-9/h3-4,6,13-14H,2,5,7-8H2,1H3,(H,12,15)
InChIKeyTXLRDRBOHTVFQE-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.54
Rot. Bonds6

About N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-thiophen-3-ylacetamide

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-thiophen-3-ylacetamide (PubChem CID 103891021) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-thiophen-3-ylacetamide
PubChem CID103891021
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-thiophen-3-ylacetamide
SMILESCCC(CO)(CO)NC(=O)Cc1ccsc1
InChIInChI=1S/C11H17NO3S/c1-2-11(7-13,8-14)12-10(15)5-9-3-4-16-6-9/h3-4,6,13-14H,2,5,7-8H2,1H3,(H,12,15)
InChIKeyTXLRDRBOHTVFQE-UHFFFAOYSA-N
XLogP0.54
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-3-ylacetamide
CID 113331516
N-(4-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide
CID 115968855
N-(2-cyanobutan-2-yl)-2-thiophen-3-ylacetamide
CID 61118996
N-(3-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide
CID 115884675
2-(4-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62520281
N-(2,3-dihydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
CID 66170415
N-(2-amino-2-ethylbutyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119641880
N-(1-amino-2,3-dimethylbutan-2-yl)-2-thiophen-3-ylacetamide
CID 81486253
N-[(2R)-1-hydroxybutan-2-yl]-2-thiophen-3-ylacetamide
CID 103920243
(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 28777850
N-(2-amino-2-methylpropyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119628292
N-(2-hydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
CID 65109995

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-thiophen-3-ylacetamide (CID 103891021) is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-thiophen-3-ylacetamide is CCC(CO)(CO)NC(=O)Cc1ccsc1.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-thiophen-3-ylacetamide?
The InChIKey is TXLRDRBOHTVFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-2-11(7-13,8-14)12-10(15)5-9-3-4-16-6-9/h3-4,6,13-14H,2,5,7-8H2,1H3,(H,12,15).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-thiophen-3-ylacetamide?
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-thiophen-3-ylacetamide has a molecular weight of 243.33 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 103891021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).