2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-ylacetamide

C12H18N2O3S — CID 106298493

IUPAC2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-ylacetamide
SMILESNC(C(=O)NC1(CO)CCOCC1)c1cccs1
InChIInChI=1S/C12H18N2O3S/c13-10(9-2-1-7-18-9)11(16)14-12(8-15)3-5-17-6-4-12/h1-2,7,10,15H,3-6,8,13H2,(H,14,16)
InChIKeyCZJWGILBPWFBMF-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.41
Rot. Bonds4

About 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-ylacetamide

2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-ylacetamide (PubChem CID 106298493) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-ylacetamide
PubChem CID106298493
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-ylacetamide
SMILESNC(C(=O)NC1(CO)CCOCC1)c1cccs1
InChIInChI=1S/C12H18N2O3S/c13-10(9-2-1-7-18-9)11(16)14-12(8-15)3-5-17-6-4-12/h1-2,7,10,15H,3-6,8,13H2,(H,14,16)
InChIKeyCZJWGILBPWFBMF-UHFFFAOYSA-N
XLogP0.41
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-thiophen-2-ylacetamide
CID 106101319
2-amino-N-(1,3-dihydroxypropan-2-yl)-2-thiophen-2-ylacetamide
CID 115287404
2-amino-N-(oxetan-3-yl)-2-thiophen-2-ylacetamide
CID 115287511
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
CID 106298521
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanediamide
CID 106298860
(2S)-2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-phenylacetamide
CID 104897811
2-amino-2-thiophen-2-ylacetic acid;hydrochloride
CID 69120250
N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 103954321
1-[[(2-amino-2-thiophen-2-ylacetyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115444446
2-amino-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 115285812
N-[4-(hydroxymethyl)oxan-4-yl]-3-phenylprop-2-ynamide
CID 104630641
N-[4-(hydroxymethyl)oxan-4-yl]-3-methylthiophene-2-carboxamide
CID 113358062

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-ylacetamide (CID 106298493) is 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-ylacetamide is NC(C(=O)NC1(CO)CCOCC1)c1cccs1.
What is the InChIKey of 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-ylacetamide?
The InChIKey is CZJWGILBPWFBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c13-10(9-2-1-7-18-9)11(16)14-12(8-15)3-5-17-6-4-12/h1-2,7,10,15H,3-6,8,13H2,(H,14,16).
What are the key properties of 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-ylacetamide?
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-ylacetamide has a molecular weight of 270.35 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 106298493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).