5-amino-1-(3-tert-butylsulfanylpropyl)pyridin-2-one

C12H20N2OS — CID 43260363

IUPAC5-amino-1-(3-tert-butylsulfanylpropyl)pyridin-2-one
SMILESCC(C)(C)SCCCn1cc(N)ccc1=O
InChIInChI=1S/C12H20N2OS/c1-12(2,3)16-8-4-7-14-9-10(13)5-6-11(14)15/h5-6,9H,4,7-8,13H2,1-3H3
InChIKeyLDXMWKCPTFDESB-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.35
Rot. Bonds4

About 5-amino-1-(3-tert-butylsulfanylpropyl)pyridin-2-one

5-amino-1-(3-tert-butylsulfanylpropyl)pyridin-2-one (PubChem CID 43260363) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 5-amino-1-(3-tert-butylsulfanylpropyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(3-tert-butylsulfanylpropyl)pyridin-2-one
PubChem CID43260363
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name5-amino-1-(3-tert-butylsulfanylpropyl)pyridin-2-one
SMILESCC(C)(C)SCCCn1cc(N)ccc1=O
InChIInChI=1S/C12H20N2OS/c1-12(2,3)16-8-4-7-14-9-10(13)5-6-11(14)15/h5-6,9H,4,7-8,13H2,1-3H3
InChIKeyLDXMWKCPTFDESB-UHFFFAOYSA-N
XLogP2.35
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylsulfanylbutan-2-yl)-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 71989386
5-Amino-1-{2-[(trifluoromethyl)sulfanyl]ethyl}-1,2-dihydropyridin-2-one
CID 116615829
5-Amino-4-methyl-1-(thiolan-3-yl)-1,2-dihydropyridin-2-one
CID 155858713
3-Amino-1-[2-(methylsulfanyl)ethyl]-1,2-dihydropyridin-2-one
CID 90224983
4-Amino-1-(3-methylsulfanylpropyl)pyridin-2-one
CID 90842295
CID 163749805
CID 163749805
N-methyl-2-[2-[2-(2-methyl-6-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanylacetamide
CID 166506276
N-methyl-2-[2-[2-(3-methyl-2-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanylacetamide
CID 166506402
2-[2-[2-(3-methyl-2-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanyl-N-propylacetamide
CID 167261164
5-Amino-1-(3-thiomorpholin-4-ylpropyl)pyridin-2-one
CID 43259648
5-Amino-1-(2-thiomorpholin-4-ylethyl)pyridin-2-one
CID 43259649
5-Amino-1-(3-butan-2-ylsulfanylpropyl)pyridin-2-one
CID 43260355

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-tert-butylsulfanylpropyl)pyridin-2-one?
The IUPAC name of 5-amino-1-(3-tert-butylsulfanylpropyl)pyridin-2-one (CID 43260363) is 5-amino-1-(3-tert-butylsulfanylpropyl)pyridin-2-one.
What is the SMILES notation for 5-amino-1-(3-tert-butylsulfanylpropyl)pyridin-2-one?
The canonical SMILES for 5-amino-1-(3-tert-butylsulfanylpropyl)pyridin-2-one is CC(C)(C)SCCCn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-(3-tert-butylsulfanylpropyl)pyridin-2-one?
The InChIKey is LDXMWKCPTFDESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-12(2,3)16-8-4-7-14-9-10(13)5-6-11(14)15/h5-6,9H,4,7-8,13H2,1-3H3.
What are the key properties of 5-amino-1-(3-tert-butylsulfanylpropyl)pyridin-2-one?
5-amino-1-(3-tert-butylsulfanylpropyl)pyridin-2-one has a molecular weight of 240.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-tert-butylsulfanylpropyl)pyridin-2-one is sourced from PubChem (CID 43260363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).