3-amino-5-(thiolan-2-yl)-1H-pyridin-2-one

C9H12N2OS — CID 115020759

IUPAC3-amino-5-(thiolan-2-yl)-1H-pyridin-2-one
SMILESNc1cc(C2CCCS2)c[nH]c1=O
InChIInChI=1S/C9H12N2OS/c10-7-4-6(5-11-9(7)12)8-2-1-3-13-8/h4-5,8H,1-3,10H2,(H,11,12)
InChIKeyKHIDVAIOMZBENR-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.53
Rot. Bonds1

About 3-amino-5-(thiolan-2-yl)-1H-pyridin-2-one

3-amino-5-(thiolan-2-yl)-1H-pyridin-2-one (PubChem CID 115020759) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 3-amino-5-(thiolan-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-(thiolan-2-yl)-1H-pyridin-2-one
PubChem CID115020759
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name3-amino-5-(thiolan-2-yl)-1H-pyridin-2-one
SMILESNc1cc(C2CCCS2)c[nH]c1=O
InChIInChI=1S/C9H12N2OS/c10-7-4-6(5-11-9(7)12)8-2-1-3-13-8/h4-5,8H,1-3,10H2,(H,11,12)
InChIKeyKHIDVAIOMZBENR-UHFFFAOYSA-N
XLogP1.53
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(thiolan-2-yl)-1H-pyridin-2-one?
The IUPAC name of 3-amino-5-(thiolan-2-yl)-1H-pyridin-2-one (CID 115020759) is 3-amino-5-(thiolan-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-5-(thiolan-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-amino-5-(thiolan-2-yl)-1H-pyridin-2-one is Nc1cc(C2CCCS2)c[nH]c1=O.
What is the InChIKey of 3-amino-5-(thiolan-2-yl)-1H-pyridin-2-one?
The InChIKey is KHIDVAIOMZBENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c10-7-4-6(5-11-9(7)12)8-2-1-3-13-8/h4-5,8H,1-3,10H2,(H,11,12).
What are the key properties of 3-amino-5-(thiolan-2-yl)-1H-pyridin-2-one?
3-amino-5-(thiolan-2-yl)-1H-pyridin-2-one has a molecular weight of 196.28 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(thiolan-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 115020759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).