3-[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-2-yl]propan-1-ol

C18H33N3O3S — CID 45178801

IUPAC3-[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-2-yl]propan-1-ol
SMILESCCCCn1c(CN2CCCCC2CCCO)cnc1S(=O)(=O)CC
InChIInChI=1S/C18H33N3O3S/c1-3-5-12-21-17(14-19-18(21)25(23,24)4-2)15-20-11-7-6-9-16(20)10-8-13-22/h14,16,22H,3-13,15H2,1-2H3
InChIKeyGHHCGYYHJRLYLR-UHFFFAOYSA-N
MW371.55 g/mol
LogP2.60
Rot. Bonds10

About 3-[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-2-yl]propan-1-ol

3-[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-2-yl]propan-1-ol (PubChem CID 45178801) has the molecular formula C18H33N3O3S and a molecular weight of 371.55 g/mol. Its IUPAC name is 3-[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-2-yl]propan-1-ol
PubChem CID45178801
Molecular FormulaC18H33N3O3S
Molecular Weight371.55 g/mol
Exact Mass371.22
IUPAC Name3-[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-2-yl]propan-1-ol
SMILESCCCCn1c(CN2CCCCC2CCCO)cnc1S(=O)(=O)CC
InChIInChI=1S/C18H33N3O3S/c1-3-5-12-21-17(14-19-18(21)25(23,24)4-2)15-20-11-7-6-9-16(20)10-8-13-22/h14,16,22H,3-13,15H2,1-2H3
InChIKeyGHHCGYYHJRLYLR-UHFFFAOYSA-N
XLogP2.60
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-2-yl]propan-1-ol (CID 45178801) is 3-[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-2-yl]propan-1-ol is CCCCn1c(CN2CCCCC2CCCO)cnc1S(=O)(=O)CC.
What is the InChIKey of 3-[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-2-yl]propan-1-ol?
The InChIKey is GHHCGYYHJRLYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3S/c1-3-5-12-21-17(14-19-18(21)25(23,24)4-2)15-20-11-7-6-9-16(20)10-8-13-22/h14,16,22H,3-13,15H2,1-2H3.
What are the key properties of 3-[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-2-yl]propan-1-ol?
3-[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-2-yl]propan-1-ol has a molecular weight of 371.55 g/mol, XLogP of 2.60, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-2-yl]propan-1-ol is sourced from PubChem (CID 45178801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).