2-amino-1-(thiolan-2-yl)ethanone

C6H11NOS — CID 83479267

IUPAC2-amino-1-(thiolan-2-yl)ethanone
SMILESNCC(=O)C1CCCS1
InChIInChI=1S/C6H11NOS/c7-4-5(8)6-2-1-3-9-6/h6H,1-4,7H2
InChIKeyPHJYPSMVTMHXRO-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.41
Rot. Bonds2

About 2-amino-1-(thiolan-2-yl)ethanone

2-amino-1-(thiolan-2-yl)ethanone (PubChem CID 83479267) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 2-amino-1-(thiolan-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(thiolan-2-yl)ethanone
PubChem CID83479267
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name2-amino-1-(thiolan-2-yl)ethanone
SMILESNCC(=O)C1CCCS1
InChIInChI=1S/C6H11NOS/c7-4-5(8)6-2-1-3-9-6/h6H,1-4,7H2
InChIKeyPHJYPSMVTMHXRO-UHFFFAOYSA-N
XLogP0.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(thiolan-2-yl)ethanone?
The IUPAC name of 2-amino-1-(thiolan-2-yl)ethanone (CID 83479267) is 2-amino-1-(thiolan-2-yl)ethanone.
What is the SMILES notation for 2-amino-1-(thiolan-2-yl)ethanone?
The canonical SMILES for 2-amino-1-(thiolan-2-yl)ethanone is NCC(=O)C1CCCS1.
What is the InChIKey of 2-amino-1-(thiolan-2-yl)ethanone?
The InChIKey is PHJYPSMVTMHXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c7-4-5(8)6-2-1-3-9-6/h6H,1-4,7H2.
What are the key properties of 2-amino-1-(thiolan-2-yl)ethanone?
2-amino-1-(thiolan-2-yl)ethanone has a molecular weight of 145.23 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(thiolan-2-yl)ethanone is sourced from PubChem (CID 83479267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).