1-propyl-5-(thiolan-3-ylamino)pyridin-2-one

C12H18N2OS — CID 60942549

IUPAC1-propyl-5-(thiolan-3-ylamino)pyridin-2-one
SMILESCCCn1cc(NC2CCSC2)ccc1=O
InChIInChI=1S/C12H18N2OS/c1-2-6-14-8-10(3-4-12(14)15)13-11-5-7-16-9-11/h3-4,8,11,13H,2,5-7,9H2,1H3
InChIKeyFDXXKUVVBJMTND-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.18
Rot. Bonds4

About 1-propyl-5-(thiolan-3-ylamino)pyridin-2-one

1-propyl-5-(thiolan-3-ylamino)pyridin-2-one (PubChem CID 60942549) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-propyl-5-(thiolan-3-ylamino)pyridin-2-one.

Molecular Properties

Compound Name1-propyl-5-(thiolan-3-ylamino)pyridin-2-one
PubChem CID60942549
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-propyl-5-(thiolan-3-ylamino)pyridin-2-one
SMILESCCCn1cc(NC2CCSC2)ccc1=O
InChIInChI=1S/C12H18N2OS/c1-2-6-14-8-10(3-4-12(14)15)13-11-5-7-16-9-11/h3-4,8,11,13H,2,5-7,9H2,1H3
InChIKeyFDXXKUVVBJMTND-UHFFFAOYSA-N
XLogP2.18
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-5-(thiolan-3-ylamino)pyridin-2-one?
The IUPAC name of 1-propyl-5-(thiolan-3-ylamino)pyridin-2-one (CID 60942549) is 1-propyl-5-(thiolan-3-ylamino)pyridin-2-one.
What is the SMILES notation for 1-propyl-5-(thiolan-3-ylamino)pyridin-2-one?
The canonical SMILES for 1-propyl-5-(thiolan-3-ylamino)pyridin-2-one is CCCn1cc(NC2CCSC2)ccc1=O.
What is the InChIKey of 1-propyl-5-(thiolan-3-ylamino)pyridin-2-one?
The InChIKey is FDXXKUVVBJMTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-2-6-14-8-10(3-4-12(14)15)13-11-5-7-16-9-11/h3-4,8,11,13H,2,5-7,9H2,1H3.
What are the key properties of 1-propyl-5-(thiolan-3-ylamino)pyridin-2-one?
1-propyl-5-(thiolan-3-ylamino)pyridin-2-one has a molecular weight of 238.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-5-(thiolan-3-ylamino)pyridin-2-one is sourced from PubChem (CID 60942549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).