1-ethylsulfonyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine

C15H27N3O2S — CID 91911696

IUPAC1-ethylsulfonyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine
SMILESCCS(=O)(=O)N1CCCC(Cc2ncc(C)n2C(C)C)C1
InChIInChI=1S/C15H27N3O2S/c1-5-21(19,20)17-8-6-7-14(11-17)9-15-16-10-13(4)18(15)12(2)3/h10,12,14H,5-9,11H2,1-4H3
InChIKeySRMNLRYBMAOIAN-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.38
Rot. Bonds5

About 1-ethylsulfonyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine

1-ethylsulfonyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine (PubChem CID 91911696) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 1-ethylsulfonyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine.

Molecular Properties

Compound Name1-ethylsulfonyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine
PubChem CID91911696
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name1-ethylsulfonyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine
SMILESCCS(=O)(=O)N1CCCC(Cc2ncc(C)n2C(C)C)C1
InChIInChI=1S/C15H27N3O2S/c1-5-21(19,20)17-8-6-7-14(11-17)9-15-16-10-13(4)18(15)12(2)3/h10,12,14H,5-9,11H2,1-4H3
InChIKeySRMNLRYBMAOIAN-UHFFFAOYSA-N
XLogP2.38
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-ethylsulfonyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine?
The IUPAC name of 1-ethylsulfonyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine (CID 91911696) is 1-ethylsulfonyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine.
What is the SMILES notation for 1-ethylsulfonyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine?
The canonical SMILES for 1-ethylsulfonyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine is CCS(=O)(=O)N1CCCC(Cc2ncc(C)n2C(C)C)C1.
What is the InChIKey of 1-ethylsulfonyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine?
The InChIKey is SRMNLRYBMAOIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-5-21(19,20)17-8-6-7-14(11-17)9-15-16-10-13(4)18(15)12(2)3/h10,12,14H,5-9,11H2,1-4H3.
What are the key properties of 1-ethylsulfonyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine?
1-ethylsulfonyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine has a molecular weight of 313.47 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine is sourced from PubChem (CID 91911696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).