4-[(3S)-1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrimidine

C16H19N3O3S — CID 124956425

IUPAC4-[(3S)-1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrimidine
SMILESCOc1cccc(S(=O)(=O)N2CCC[C@H](c3ccncn3)C2)c1
InChIInChI=1S/C16H19N3O3S/c1-22-14-5-2-6-15(10-14)23(20,21)19-9-3-4-13(11-19)16-7-8-17-12-18-16/h2,5-8,10,12-13H,3-4,9,11H2,1H3/t13-/m0/s1
InChIKeyFRMPAGWSWQDVKS-ZDUSSCGKSA-N
MW333.41 g/mol
LogP2.05
Rot. Bonds4

About 4-[(3S)-1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrimidine

4-[(3S)-1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrimidine (PubChem CID 124956425) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-[(3S)-1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrimidine.

Molecular Properties

Compound Name4-[(3S)-1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrimidine
PubChem CID124956425
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name4-[(3S)-1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrimidine
SMILESCOc1cccc(S(=O)(=O)N2CCC[C@H](c3ccncn3)C2)c1
InChIInChI=1S/C16H19N3O3S/c1-22-14-5-2-6-15(10-14)23(20,21)19-9-3-4-13(11-19)16-7-8-17-12-18-16/h2,5-8,10,12-13H,3-4,9,11H2,1H3/t13-/m0/s1
InChIKeyFRMPAGWSWQDVKS-ZDUSSCGKSA-N
XLogP2.05
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(3S)-1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrimidine 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

2-[1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrazine
CID 110259171
1-(3-methoxyphenyl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine
CID 91909491
3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121092334
4-(1-thiophen-3-ylsulfonylpiperidin-3-yl)pyrimidine
CID 45220193
(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258608
(3S)-N-cyclohexyl-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 11531019
6-[(dimethylamino)methyl]-2-[(3S)-1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]-N,N-dimethylpyrimidin-4-amine
CID 95830239
1-(3-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 121147259
1-(3-methoxyphenyl)sulfonyl-3-thiophen-2-ylpyrrolidine
CID 131703854
2-(4-methoxyphenyl)-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]ethanone
CID 124965599
3-(3-methoxyphenyl)-5-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 3225979
2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 132675747

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrimidine?
The IUPAC name of 4-[(3S)-1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrimidine (CID 124956425) is 4-[(3S)-1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrimidine.
What is the SMILES notation for 4-[(3S)-1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrimidine?
The canonical SMILES for 4-[(3S)-1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrimidine is COc1cccc(S(=O)(=O)N2CCC[C@H](c3ccncn3)C2)c1.
What is the InChIKey of 4-[(3S)-1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrimidine?
The InChIKey is FRMPAGWSWQDVKS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-22-14-5-2-6-15(10-14)23(20,21)19-9-3-4-13(11-19)16-7-8-17-12-18-16/h2,5-8,10,12-13H,3-4,9,11H2,1H3/t13-/m0/s1.
What are the key properties of 4-[(3S)-1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrimidine?
4-[(3S)-1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrimidine has a molecular weight of 333.41 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrimidine is sourced from PubChem (CID 124956425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).