3-(2-tert-butylsulfonylethyl)pyrimidin-4-one

C10H16N2O3S — CID 103734624

IUPAC3-(2-tert-butylsulfonylethyl)pyrimidin-4-one
SMILESCC(C)(C)S(=O)(=O)CCn1cnccc1=O
InChIInChI=1S/C10H16N2O3S/c1-10(2,3)16(14,15)7-6-12-8-11-5-4-9(12)13/h4-5,8H,6-7H2,1-3H3
InChIKeySCNFTXBAMYOUBX-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.46
Rot. Bonds3

About 3-(2-tert-butylsulfonylethyl)pyrimidin-4-one

3-(2-tert-butylsulfonylethyl)pyrimidin-4-one (PubChem CID 103734624) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-(2-tert-butylsulfonylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-tert-butylsulfonylethyl)pyrimidin-4-one
PubChem CID103734624
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name3-(2-tert-butylsulfonylethyl)pyrimidin-4-one
SMILESCC(C)(C)S(=O)(=O)CCn1cnccc1=O
InChIInChI=1S/C10H16N2O3S/c1-10(2,3)16(14,15)7-6-12-8-11-5-4-9(12)13/h4-5,8H,6-7H2,1-3H3
InChIKeySCNFTXBAMYOUBX-UHFFFAOYSA-N
XLogP0.46
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2-tert-butylsulfonylethyl)pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(2-Methylsulfonylethylamino)ethyl]pyrimidin-4-one
CID 63794031
5-Iodo-3-(2-methylsulfonylethyl)pyrimidin-4-one
CID 66308843
5-Bromo-3-[2-(ethanesulfonyl)ethyl]-3,4-dihydropyrimidin-4-one
CID 66309139
3-(3-Ethylsulfonylpropyl)-5-iodopyrimidin-4-one
CID 66309911
3-(2-Ethylsulfonylethyl)-5-iodopyrimidin-4-one
CID 66310338
2-(2-Tert-butylsulfonylethylsulfanyl)-1-propan-2-ylpyrimidin-4-one
CID 96522466
5-Bromo-3-(2-tert-butylsulfonylethyl)pyrimidin-4-one
CID 103763460
5-Bromo-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one
CID 106728585
5-Iodo-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one
CID 106728593
5-Iodo-3-(2-propylsulfonylethyl)pyrimidin-4-one
CID 106728594
3-(2-Tert-butylsulfonylethyl)-5-iodopyrimidin-4-one
CID 106728595
3-(2-Tert-butylsulfonylethyl)-5-iodo-2-methylpyrimidin-4-one
CID 106728601

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylsulfonylethyl)pyrimidin-4-one?
The IUPAC name of 3-(2-tert-butylsulfonylethyl)pyrimidin-4-one (CID 103734624) is 3-(2-tert-butylsulfonylethyl)pyrimidin-4-one.
What is the SMILES notation for 3-(2-tert-butylsulfonylethyl)pyrimidin-4-one?
The canonical SMILES for 3-(2-tert-butylsulfonylethyl)pyrimidin-4-one is CC(C)(C)S(=O)(=O)CCn1cnccc1=O.
What is the InChIKey of 3-(2-tert-butylsulfonylethyl)pyrimidin-4-one?
The InChIKey is SCNFTXBAMYOUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-10(2,3)16(14,15)7-6-12-8-11-5-4-9(12)13/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 3-(2-tert-butylsulfonylethyl)pyrimidin-4-one?
3-(2-tert-butylsulfonylethyl)pyrimidin-4-one has a molecular weight of 244.32 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylsulfonylethyl)pyrimidin-4-one is sourced from PubChem (CID 103734624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).