2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide

C9H14N2O2S — CID 107221006

IUPAC2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide
SMILESC[C@@H](O)CNC(=O)C(N)c1cccs1
InChIInChI=1S/C9H14N2O2S/c1-6(12)5-11-9(13)8(10)7-3-2-4-14-7/h2-4,6,8,12H,5,10H2,1H3,(H,11,13)/t6-,8?/m1/s1
InChIKeyOBLXIKLANVZDOB-XPJFZRNWSA-N
MW214.29 g/mol
LogP0.24
Rot. Bonds4

About 2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide

2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide (PubChem CID 107221006) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide
PubChem CID107221006
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide
SMILESC[C@@H](O)CNC(=O)C(N)c1cccs1
InChIInChI=1S/C9H14N2O2S/c1-6(12)5-11-9(13)8(10)7-3-2-4-14-7/h2-4,6,8,12H,5,10H2,1H3,(H,11,13)/t6-,8?/m1/s1
InChIKeyOBLXIKLANVZDOB-XPJFZRNWSA-N
XLogP0.24
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide (CID 107221006) is 2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide is C[C@@H](O)CNC(=O)C(N)c1cccs1.
What is the InChIKey of 2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide?
The InChIKey is OBLXIKLANVZDOB-XPJFZRNWSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-6(12)5-11-9(13)8(10)7-3-2-4-14-7/h2-4,6,8,12H,5,10H2,1H3,(H,11,13)/t6-,8?/m1/s1.
What are the key properties of 2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide?
2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide has a molecular weight of 214.29 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 107221006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).