N-(thiolan-2-yl)acetamide

C6H11NOS — CID 44558384

IUPACN-(thiolan-2-yl)acetamide
SMILESCC(=O)NC1CCCS1
InChIInChI=1S/C6H11NOS/c1-5(8)7-6-3-2-4-9-6/h6H,2-4H2,1H3,(H,7,8)
InChIKeyXFULINMAWMFBID-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.98
Rot. Bonds1

About N-(thiolan-2-yl)acetamide

N-(thiolan-2-yl)acetamide (PubChem CID 44558384) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is N-(thiolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(thiolan-2-yl)acetamide
PubChem CID44558384
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC NameN-(thiolan-2-yl)acetamide
SMILESCC(=O)NC1CCCS1
InChIInChI=1S/C6H11NOS/c1-5(8)7-6-3-2-4-9-6/h6H,2-4H2,1H3,(H,7,8)
InChIKeyXFULINMAWMFBID-UHFFFAOYSA-N
XLogP0.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(thiolan-2-yl)acetamide?
The IUPAC name of N-(thiolan-2-yl)acetamide (CID 44558384) is N-(thiolan-2-yl)acetamide.
What is the SMILES notation for N-(thiolan-2-yl)acetamide?
The canonical SMILES for N-(thiolan-2-yl)acetamide is CC(=O)NC1CCCS1.
What is the InChIKey of N-(thiolan-2-yl)acetamide?
The InChIKey is XFULINMAWMFBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-5(8)7-6-3-2-4-9-6/h6H,2-4H2,1H3,(H,7,8).
What are the key properties of N-(thiolan-2-yl)acetamide?
N-(thiolan-2-yl)acetamide has a molecular weight of 145.23 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-2-yl)acetamide is sourced from PubChem (CID 44558384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).