5-amino-1-[2-[methyl(thiolan-3-yl)amino]ethyl]pyridin-2-one

C12H19N3OS — CID 43296255

IUPAC5-amino-1-[2-[methyl(thiolan-3-yl)amino]ethyl]pyridin-2-one
SMILESCN(CCn1cc(N)ccc1=O)C1CCSC1
InChIInChI=1S/C12H19N3OS/c1-14(11-4-7-17-9-11)5-6-15-8-10(13)2-3-12(15)16/h2-3,8,11H,4-7,9,13H2,1H3
InChIKeyGOJGIPHPRJVLHG-UHFFFAOYSA-N
MW253.37 g/mol
LogP0.87
Rot. Bonds4

About 5-amino-1-[2-[methyl(thiolan-3-yl)amino]ethyl]pyridin-2-one

5-amino-1-[2-[methyl(thiolan-3-yl)amino]ethyl]pyridin-2-one (PubChem CID 43296255) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 5-amino-1-[2-[methyl(thiolan-3-yl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-[methyl(thiolan-3-yl)amino]ethyl]pyridin-2-one
PubChem CID43296255
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name5-amino-1-[2-[methyl(thiolan-3-yl)amino]ethyl]pyridin-2-one
SMILESCN(CCn1cc(N)ccc1=O)C1CCSC1
InChIInChI=1S/C12H19N3OS/c1-14(11-4-7-17-9-11)5-6-15-8-10(13)2-3-12(15)16/h2-3,8,11H,4-7,9,13H2,1H3
InChIKeyGOJGIPHPRJVLHG-UHFFFAOYSA-N
XLogP0.87
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 43260356
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CID 43260359
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CID 43260360
CID 43260360

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-[methyl(thiolan-3-yl)amino]ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-[methyl(thiolan-3-yl)amino]ethyl]pyridin-2-one (CID 43296255) is 5-amino-1-[2-[methyl(thiolan-3-yl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-[methyl(thiolan-3-yl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-[methyl(thiolan-3-yl)amino]ethyl]pyridin-2-one is CN(CCn1cc(N)ccc1=O)C1CCSC1.
What is the InChIKey of 5-amino-1-[2-[methyl(thiolan-3-yl)amino]ethyl]pyridin-2-one?
The InChIKey is GOJGIPHPRJVLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-14(11-4-7-17-9-11)5-6-15-8-10(13)2-3-12(15)16/h2-3,8,11H,4-7,9,13H2,1H3.
What are the key properties of 5-amino-1-[2-[methyl(thiolan-3-yl)amino]ethyl]pyridin-2-one?
5-amino-1-[2-[methyl(thiolan-3-yl)amino]ethyl]pyridin-2-one has a molecular weight of 253.37 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-[methyl(thiolan-3-yl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 43296255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).