1-[2-(5-amino-2-methylphenyl)sulfinylethyl]pyridin-2-one

C14H16N2O2S — CID 82907371

IUPAC1-[2-(5-amino-2-methylphenyl)sulfinylethyl]pyridin-2-one
SMILESCc1ccc(N)cc1S(=O)CCn1ccccc1=O
InChIInChI=1S/C14H16N2O2S/c1-11-5-6-12(15)10-13(11)19(18)9-8-16-7-3-2-4-14(16)17/h2-7,10H,8-9,15H2,1H3
InChIKeyVLDSNUPEWWOEPP-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.55
Rot. Bonds4

About 1-[2-(5-amino-2-methylphenyl)sulfinylethyl]pyridin-2-one

1-[2-(5-amino-2-methylphenyl)sulfinylethyl]pyridin-2-one (PubChem CID 82907371) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-[2-(5-amino-2-methylphenyl)sulfinylethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(5-amino-2-methylphenyl)sulfinylethyl]pyridin-2-one
PubChem CID82907371
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name1-[2-(5-amino-2-methylphenyl)sulfinylethyl]pyridin-2-one
SMILESCc1ccc(N)cc1S(=O)CCn1ccccc1=O
InChIInChI=1S/C14H16N2O2S/c1-11-5-6-12(15)10-13(11)19(18)9-8-16-7-3-2-4-14(16)17/h2-7,10H,8-9,15H2,1H3
InChIKeyVLDSNUPEWWOEPP-UHFFFAOYSA-N
XLogP1.55
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-amino-2-methylphenyl)sulfinylethyl]pyridin-2-one?
The IUPAC name of 1-[2-(5-amino-2-methylphenyl)sulfinylethyl]pyridin-2-one (CID 82907371) is 1-[2-(5-amino-2-methylphenyl)sulfinylethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(5-amino-2-methylphenyl)sulfinylethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(5-amino-2-methylphenyl)sulfinylethyl]pyridin-2-one is Cc1ccc(N)cc1S(=O)CCn1ccccc1=O.
What is the InChIKey of 1-[2-(5-amino-2-methylphenyl)sulfinylethyl]pyridin-2-one?
The InChIKey is VLDSNUPEWWOEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-11-5-6-12(15)10-13(11)19(18)9-8-16-7-3-2-4-14(16)17/h2-7,10H,8-9,15H2,1H3.
What are the key properties of 1-[2-(5-amino-2-methylphenyl)sulfinylethyl]pyridin-2-one?
1-[2-(5-amino-2-methylphenyl)sulfinylethyl]pyridin-2-one has a molecular weight of 276.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-amino-2-methylphenyl)sulfinylethyl]pyridin-2-one is sourced from PubChem (CID 82907371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).