5-amino-1-[3-(2-methylpropylsulfonyl)propyl]pyridin-2-one

C12H20N2O3S — CID 43382355

IUPAC5-amino-1-[3-(2-methylpropylsulfonyl)propyl]pyridin-2-one
SMILESCC(C)CS(=O)(=O)CCCn1cc(N)ccc1=O
InChIInChI=1S/C12H20N2O3S/c1-10(2)9-18(16,17)7-3-6-14-8-11(13)4-5-12(14)15/h4-5,8,10H,3,6-7,9,13H2,1-2H3
InChIKeyNUGDNYLCCZBEPZ-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.89
Rot. Bonds6

About 5-amino-1-[3-(2-methylpropylsulfonyl)propyl]pyridin-2-one

5-amino-1-[3-(2-methylpropylsulfonyl)propyl]pyridin-2-one (PubChem CID 43382355) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 5-amino-1-[3-(2-methylpropylsulfonyl)propyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[3-(2-methylpropylsulfonyl)propyl]pyridin-2-one
PubChem CID43382355
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name5-amino-1-[3-(2-methylpropylsulfonyl)propyl]pyridin-2-one
SMILESCC(C)CS(=O)(=O)CCCn1cc(N)ccc1=O
InChIInChI=1S/C12H20N2O3S/c1-10(2)9-18(16,17)7-3-6-14-8-11(13)4-5-12(14)15/h4-5,8,10H,3,6-7,9,13H2,1-2H3
InChIKeyNUGDNYLCCZBEPZ-UHFFFAOYSA-N
XLogP0.89
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-(2-methylpropylsulfonyl)propyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[3-(2-methylpropylsulfonyl)propyl]pyridin-2-one (CID 43382355) is 5-amino-1-[3-(2-methylpropylsulfonyl)propyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[3-(2-methylpropylsulfonyl)propyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[3-(2-methylpropylsulfonyl)propyl]pyridin-2-one is CC(C)CS(=O)(=O)CCCn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-[3-(2-methylpropylsulfonyl)propyl]pyridin-2-one?
The InChIKey is NUGDNYLCCZBEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-10(2)9-18(16,17)7-3-6-14-8-11(13)4-5-12(14)15/h4-5,8,10H,3,6-7,9,13H2,1-2H3.
What are the key properties of 5-amino-1-[3-(2-methylpropylsulfonyl)propyl]pyridin-2-one?
5-amino-1-[3-(2-methylpropylsulfonyl)propyl]pyridin-2-one has a molecular weight of 272.37 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-(2-methylpropylsulfonyl)propyl]pyridin-2-one is sourced from PubChem (CID 43382355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).