5-[2-(cyclopropylmethylamino)-5-ethylsulfonylphenyl]-1,4-dimethylpyridin-2-one

C19H24N2O3S — CID 118021684

IUPAC5-[2-(cyclopropylmethylamino)-5-ethylsulfonylphenyl]-1,4-dimethylpyridin-2-one
SMILESCCS(=O)(=O)c1ccc(NCC2CC2)c(-c2cn(C)c(=O)cc2C)c1
InChIInChI=1S/C19H24N2O3S/c1-4-25(23,24)15-7-8-18(20-11-14-5-6-14)16(10-15)17-12-21(3)19(22)9-13(17)2/h7-10,12,14,20H,4-6,11H2,1-3H3
InChIKeySNSOQONFCYTOTQ-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.98
Rot. Bonds6

About 5-[2-(cyclopropylmethylamino)-5-ethylsulfonylphenyl]-1,4-dimethylpyridin-2-one

5-[2-(cyclopropylmethylamino)-5-ethylsulfonylphenyl]-1,4-dimethylpyridin-2-one (PubChem CID 118021684) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 5-[2-(cyclopropylmethylamino)-5-ethylsulfonylphenyl]-1,4-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(cyclopropylmethylamino)-5-ethylsulfonylphenyl]-1,4-dimethylpyridin-2-one
PubChem CID118021684
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name5-[2-(cyclopropylmethylamino)-5-ethylsulfonylphenyl]-1,4-dimethylpyridin-2-one
SMILESCCS(=O)(=O)c1ccc(NCC2CC2)c(-c2cn(C)c(=O)cc2C)c1
InChIInChI=1S/C19H24N2O3S/c1-4-25(23,24)15-7-8-18(20-11-14-5-6-14)16(10-15)17-12-21(3)19(22)9-13(17)2/h7-10,12,14,20H,4-6,11H2,1-3H3
InChIKeySNSOQONFCYTOTQ-UHFFFAOYSA-N
XLogP2.98
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylmethylamino)-5-ethylsulfonylphenyl]-1,4-dimethylpyridin-2-one?
The IUPAC name of 5-[2-(cyclopropylmethylamino)-5-ethylsulfonylphenyl]-1,4-dimethylpyridin-2-one (CID 118021684) is 5-[2-(cyclopropylmethylamino)-5-ethylsulfonylphenyl]-1,4-dimethylpyridin-2-one.
What is the SMILES notation for 5-[2-(cyclopropylmethylamino)-5-ethylsulfonylphenyl]-1,4-dimethylpyridin-2-one?
The canonical SMILES for 5-[2-(cyclopropylmethylamino)-5-ethylsulfonylphenyl]-1,4-dimethylpyridin-2-one is CCS(=O)(=O)c1ccc(NCC2CC2)c(-c2cn(C)c(=O)cc2C)c1.
What is the InChIKey of 5-[2-(cyclopropylmethylamino)-5-ethylsulfonylphenyl]-1,4-dimethylpyridin-2-one?
The InChIKey is SNSOQONFCYTOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-4-25(23,24)15-7-8-18(20-11-14-5-6-14)16(10-15)17-12-21(3)19(22)9-13(17)2/h7-10,12,14,20H,4-6,11H2,1-3H3.
What are the key properties of 5-[2-(cyclopropylmethylamino)-5-ethylsulfonylphenyl]-1,4-dimethylpyridin-2-one?
5-[2-(cyclopropylmethylamino)-5-ethylsulfonylphenyl]-1,4-dimethylpyridin-2-one has a molecular weight of 360.48 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylmethylamino)-5-ethylsulfonylphenyl]-1,4-dimethylpyridin-2-one is sourced from PubChem (CID 118021684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).