4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]-1-propylsulfonylpiperidine

C16H27N3O2S — CID 91923576

IUPAC4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]-1-propylsulfonylpiperidine
SMILESCCCS(=O)(=O)N1CCC(Cn2c(C)cnc2C2CC2)CC1
InChIInChI=1S/C16H27N3O2S/c1-3-10-22(20,21)18-8-6-14(7-9-18)12-19-13(2)11-17-16(19)15-4-5-15/h11,14-15H,3-10,12H2,1-2H3
InChIKeyRVSXYECCDVNAIN-UHFFFAOYSA-N
MW325.48 g/mol
LogP2.52
Rot. Bonds6

About 4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]-1-propylsulfonylpiperidine

4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]-1-propylsulfonylpiperidine (PubChem CID 91923576) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]-1-propylsulfonylpiperidine.

Molecular Properties

Compound Name4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]-1-propylsulfonylpiperidine
PubChem CID91923576
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]-1-propylsulfonylpiperidine
SMILESCCCS(=O)(=O)N1CCC(Cn2c(C)cnc2C2CC2)CC1
InChIInChI=1S/C16H27N3O2S/c1-3-10-22(20,21)18-8-6-14(7-9-18)12-19-13(2)11-17-16(19)15-4-5-15/h11,14-15H,3-10,12H2,1-2H3
InChIKeyRVSXYECCDVNAIN-UHFFFAOYSA-N
XLogP2.52
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]-1-propylsulfonylpiperidine?
The IUPAC name of 4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]-1-propylsulfonylpiperidine (CID 91923576) is 4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]-1-propylsulfonylpiperidine.
What is the SMILES notation for 4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]-1-propylsulfonylpiperidine?
The canonical SMILES for 4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]-1-propylsulfonylpiperidine is CCCS(=O)(=O)N1CCC(Cn2c(C)cnc2C2CC2)CC1.
What is the InChIKey of 4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]-1-propylsulfonylpiperidine?
The InChIKey is RVSXYECCDVNAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-3-10-22(20,21)18-8-6-14(7-9-18)12-19-13(2)11-17-16(19)15-4-5-15/h11,14-15H,3-10,12H2,1-2H3.
What are the key properties of 4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]-1-propylsulfonylpiperidine?
4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]-1-propylsulfonylpiperidine has a molecular weight of 325.48 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]-1-propylsulfonylpiperidine is sourced from PubChem (CID 91923576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).