4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-methylsulfonylpiperidine

C13H21N3O2S — CID 110198120

IUPAC4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-methylsulfonylpiperidine
SMILESCc1cnc(C2CC2)n1C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H21N3O2S/c1-10-9-14-13(11-3-4-11)16(10)12-5-7-15(8-6-12)19(2,17)18/h9,11-12H,3-8H2,1-2H3
InChIKeyBHXAPEPNWINSCR-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.67
Rot. Bonds3

About 4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-methylsulfonylpiperidine

4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-methylsulfonylpiperidine (PubChem CID 110198120) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-methylsulfonylpiperidine
PubChem CID110198120
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-methylsulfonylpiperidine
SMILESCc1cnc(C2CC2)n1C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H21N3O2S/c1-10-9-14-13(11-3-4-11)16(10)12-5-7-15(8-6-12)19(2,17)18/h9,11-12H,3-8H2,1-2H3
InChIKeyBHXAPEPNWINSCR-UHFFFAOYSA-N
XLogP1.67
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.67
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)-1-methylsulfonylpiperidine?
The IUPAC name of 4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-methylsulfonylpiperidine (CID 110198120) is 4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-methylsulfonylpiperidine?
The canonical SMILES for 4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-methylsulfonylpiperidine is Cc1cnc(C2CC2)n1C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-methylsulfonylpiperidine?
The InChIKey is BHXAPEPNWINSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10-9-14-13(11-3-4-11)16(10)12-5-7-15(8-6-12)19(2,17)18/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-methylsulfonylpiperidine?
4-(2-cyclopropyl-5-methylimidazol-1-yl)-1-methylsulfonylpiperidine has a molecular weight of 283.40 g/mol, XLogP of 1.67, 3 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)-1-methylsulfonylpiperidine is sourced from PubChem (CID 110198120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).