4-amino-1-(3-methylsulfonylpropyl)pyridin-2-one

C9H14N2O3S — CID 70237846

IUPAC4-amino-1-(3-methylsulfonylpropyl)pyridin-2-one
SMILESCS(=O)(=O)CCCn1ccc(N)cc1=O
InChIInChI=1S/C9H14N2O3S/c1-15(13,14)6-2-4-11-5-3-8(10)7-9(11)12/h3,5,7H,2,4,6,10H2,1H3
InChIKeyJAVLLWZIHDVDNM-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.13
Rot. Bonds4

About 4-amino-1-(3-methylsulfonylpropyl)pyridin-2-one

4-amino-1-(3-methylsulfonylpropyl)pyridin-2-one (PubChem CID 70237846) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-amino-1-(3-methylsulfonylpropyl)pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-(3-methylsulfonylpropyl)pyridin-2-one
PubChem CID70237846
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name4-amino-1-(3-methylsulfonylpropyl)pyridin-2-one
SMILESCS(=O)(=O)CCCn1ccc(N)cc1=O
InChIInChI=1S/C9H14N2O3S/c1-15(13,14)6-2-4-11-5-3-8(10)7-9(11)12/h3,5,7H,2,4,6,10H2,1H3
InChIKeyJAVLLWZIHDVDNM-UHFFFAOYSA-N
XLogP-0.13
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-methylsulfonylpropyl)pyridin-2-one?
The IUPAC name of 4-amino-1-(3-methylsulfonylpropyl)pyridin-2-one (CID 70237846) is 4-amino-1-(3-methylsulfonylpropyl)pyridin-2-one.
What is the SMILES notation for 4-amino-1-(3-methylsulfonylpropyl)pyridin-2-one?
The canonical SMILES for 4-amino-1-(3-methylsulfonylpropyl)pyridin-2-one is CS(=O)(=O)CCCn1ccc(N)cc1=O.
What is the InChIKey of 4-amino-1-(3-methylsulfonylpropyl)pyridin-2-one?
The InChIKey is JAVLLWZIHDVDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-15(13,14)6-2-4-11-5-3-8(10)7-9(11)12/h3,5,7H,2,4,6,10H2,1H3.
What are the key properties of 4-amino-1-(3-methylsulfonylpropyl)pyridin-2-one?
4-amino-1-(3-methylsulfonylpropyl)pyridin-2-one has a molecular weight of 230.29 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-methylsulfonylpropyl)pyridin-2-one is sourced from PubChem (CID 70237846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).