(3S)-1-ethylsulfonyl-3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine

C16H27N3O3S — CID 164641618

IUPAC(3S)-1-ethylsulfonyl-3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine
SMILESCCS(=O)(=O)N1CCC[C@H](n2c(C)cnc2C2CCOCC2)C1
InChIInChI=1S/C16H27N3O3S/c1-3-23(20,21)18-8-4-5-15(12-18)19-13(2)11-17-16(19)14-6-9-22-10-7-14/h11,14-15H,3-10,12H2,1-2H3/t15-/m0/s1
InChIKeyUBJZPEKSYBVREK-HNNXBMFYSA-N
MW341.48 g/mol
LogP2.07
Rot. Bonds4

About (3S)-1-ethylsulfonyl-3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine

(3S)-1-ethylsulfonyl-3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine (PubChem CID 164641618) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is (3S)-1-ethylsulfonyl-3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine.

Molecular Properties

Compound Name(3S)-1-ethylsulfonyl-3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine
PubChem CID164641618
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name(3S)-1-ethylsulfonyl-3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine
SMILESCCS(=O)(=O)N1CCC[C@H](n2c(C)cnc2C2CCOCC2)C1
InChIInChI=1S/C16H27N3O3S/c1-3-23(20,21)18-8-4-5-15(12-18)19-13(2)11-17-16(19)14-6-9-22-10-7-14/h11,14-15H,3-10,12H2,1-2H3/t15-/m0/s1
InChIKeyUBJZPEKSYBVREK-HNNXBMFYSA-N
XLogP2.07
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-1-ethylsulfonyl-3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine 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

7-ethylsulfonyl-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118739007
4-(5-methyl-2-tetrahydro-2H-pyran-4-yl-1H-imidazol-1-yl)piperidine
CID 90488060
3-[5-Methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]piperidine
CID 90488101
1-(Ethanesulfonyl)-3-{[5-methyl-1-(propan-2-YL)-1H-imidazol-2-YL]methyl}piperidine
CID 91911696
4-[(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)methyl]-1-(propylsulfonyl)piperidine
CID 91923576
4-[(5-Methyl-1-propylimidazol-2-yl)methyl]-1-methylsulfonylpiperidine
CID 91923934
3-(2-Cyclopropyl-5-methyl-1H-imidazol-1-YL)-1-(ethanesulfonyl)piperidine
CID 110198093
4-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)-1-(ethylsulfonyl)piperidine
CID 110198119
3-[(1-isopropyl-5-methyl-1H-imidazol-2-yl)methyl]-1-(methylsulfonyl)piperidine
CID 110203839
1-(1-Methylimidazol-4-yl)sulfonyl-3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine
CID 124046207
1-Cycloheptyl-4-{[5-methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]methyl}piperidine
CID 124047030
N,N-Diethyl-4-[5-methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]piperidine-1-carboxamide
CID 124047212

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethylsulfonyl-3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine?
The IUPAC name of (3S)-1-ethylsulfonyl-3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine (CID 164641618) is (3S)-1-ethylsulfonyl-3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine.
What is the SMILES notation for (3S)-1-ethylsulfonyl-3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine?
The canonical SMILES for (3S)-1-ethylsulfonyl-3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine is CCS(=O)(=O)N1CCC[C@H](n2c(C)cnc2C2CCOCC2)C1.
What is the InChIKey of (3S)-1-ethylsulfonyl-3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine?
The InChIKey is UBJZPEKSYBVREK-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-3-23(20,21)18-8-4-5-15(12-18)19-13(2)11-17-16(19)14-6-9-22-10-7-14/h11,14-15H,3-10,12H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-1-ethylsulfonyl-3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine?
(3S)-1-ethylsulfonyl-3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine has a molecular weight of 341.48 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethylsulfonyl-3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine is sourced from PubChem (CID 164641618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).