3-[(4-cyclopropyl-2-oxopyrimidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide

C16H19N3O3S — CID 136572192

IUPAC3-[(4-cyclopropyl-2-oxopyrimidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(Cn2ccc(C3CC3)nc2=O)c1
InChIInChI=1S/C16H19N3O3S/c1-18(2)23(21,22)14-5-3-4-12(10-14)11-19-9-8-15(13-6-7-13)17-16(19)20/h3-5,8-10,13H,6-7,11H2,1-2H3
InChIKeyBCRGURHTOVEFLB-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.42
Rot. Bonds5

About 3-[(4-cyclopropyl-2-oxopyrimidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide

3-[(4-cyclopropyl-2-oxopyrimidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 136572192) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 3-[(4-cyclopropyl-2-oxopyrimidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(4-cyclopropyl-2-oxopyrimidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide
PubChem CID136572192
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name3-[(4-cyclopropyl-2-oxopyrimidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(Cn2ccc(C3CC3)nc2=O)c1
InChIInChI=1S/C16H19N3O3S/c1-18(2)23(21,22)14-5-3-4-12(10-14)11-19-9-8-15(13-6-7-13)17-16(19)20/h3-5,8-10,13H,6-7,11H2,1-2H3
InChIKeyBCRGURHTOVEFLB-UHFFFAOYSA-N
XLogP1.42
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)methyl]-N,N-dimethylbenzenesulfonamide
CID 47004137
3-[(3-ethyl-2-oxo-1-pyridinyl)methyl]-N,N-dimethylbenzenesulfonamide
CID 136572202
3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 29430254
3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 112734019
3-[(3,5-dimethylpiperazin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 119923881
N,N-dimethyl-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzenesulfonamide
CID 30028160
3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide
CID 114681418
3-[(4-amino-5-methyltriazol-1-yl)methyl]-N,N-dimethylbenzenesulfonamide
CID 79543098
3-[(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide
CID 167947859
3-(chloromethyl)-N,N-dimethylbenzenesulfonamide
CID 2106886
(2S)-1-[[3-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910755
N,N-dimethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzenesulfonamide
CID 134055383

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclopropyl-2-oxopyrimidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(4-cyclopropyl-2-oxopyrimidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide (CID 136572192) is 3-[(4-cyclopropyl-2-oxopyrimidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(4-cyclopropyl-2-oxopyrimidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(4-cyclopropyl-2-oxopyrimidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(Cn2ccc(C3CC3)nc2=O)c1.
What is the InChIKey of 3-[(4-cyclopropyl-2-oxopyrimidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is BCRGURHTOVEFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-18(2)23(21,22)14-5-3-4-12(10-14)11-19-9-8-15(13-6-7-13)17-16(19)20/h3-5,8-10,13H,6-7,11H2,1-2H3.
What are the key properties of 3-[(4-cyclopropyl-2-oxopyrimidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide?
3-[(4-cyclopropyl-2-oxopyrimidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopropyl-2-oxopyrimidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 136572192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).