[1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]methanol

C18H31N3O4S — CID 45216013

IUPAC[1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]methanol
SMILESCCCS(=O)(=O)c1ncc(CN2CCC(CO)CC2)n1CC1CCCO1
InChIInChI=1S/C18H31N3O4S/c1-2-10-26(23,24)18-19-11-16(21(18)13-17-4-3-9-25-17)12-20-7-5-15(14-22)6-8-20/h11,15,17,22H,2-10,12-14H2,1H3
InChIKeyGHKXACKEVWXVOI-UHFFFAOYSA-N
MW385.53 g/mol
LogP1.45
Rot. Bonds8

About [1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]methanol

[1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]methanol (PubChem CID 45216013) has the molecular formula C18H31N3O4S and a molecular weight of 385.53 g/mol. Its IUPAC name is [1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]methanol
PubChem CID45216013
Molecular FormulaC18H31N3O4S
Molecular Weight385.53 g/mol
Exact Mass385.20
IUPAC Name[1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]methanol
SMILESCCCS(=O)(=O)c1ncc(CN2CCC(CO)CC2)n1CC1CCCO1
InChIInChI=1S/C18H31N3O4S/c1-2-10-26(23,24)18-19-11-16(21(18)13-17-4-3-9-25-17)12-20-7-5-15(14-22)6-8-20/h11,15,17,22H,2-10,12-14H2,1H3
InChIKeyGHKXACKEVWXVOI-UHFFFAOYSA-N
XLogP1.45
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]methanol (CID 45216013) is [1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]methanol is CCCS(=O)(=O)c1ncc(CN2CCC(CO)CC2)n1CC1CCCO1.
What is the InChIKey of [1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]methanol?
The InChIKey is GHKXACKEVWXVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O4S/c1-2-10-26(23,24)18-19-11-16(21(18)13-17-4-3-9-25-17)12-20-7-5-15(14-22)6-8-20/h11,15,17,22H,2-10,12-14H2,1H3.
What are the key properties of [1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]methanol?
[1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]methanol has a molecular weight of 385.53 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 45216013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).