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

C18H31N3O3S — CID 45210739

IUPAC4-methyl-1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidine
SMILESCCCS(=O)(=O)c1ncc(CN2CCC(C)CC2)n1CC1CCCO1
InChIInChI=1S/C18H31N3O3S/c1-3-11-25(22,23)18-19-12-16(13-20-8-6-15(2)7-9-20)21(18)14-17-5-4-10-24-17/h12,15,17H,3-11,13-14H2,1-2H3
InChIKeyVQXJZDUQNQJLHS-UHFFFAOYSA-N
MW369.53 g/mol
LogP2.48
Rot. Bonds7

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

4-methyl-1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidine (PubChem CID 45210739) has the molecular formula C18H31N3O3S and a molecular weight of 369.53 g/mol. Its IUPAC name is 4-methyl-1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidine
PubChem CID45210739
Molecular FormulaC18H31N3O3S
Molecular Weight369.53 g/mol
Exact Mass369.21
IUPAC Name4-methyl-1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidine
SMILESCCCS(=O)(=O)c1ncc(CN2CCC(C)CC2)n1CC1CCCO1
InChIInChI=1S/C18H31N3O3S/c1-3-11-25(22,23)18-19-12-16(13-20-8-6-15(2)7-9-20)21(18)14-17-5-4-10-24-17/h12,15,17H,3-11,13-14H2,1-2H3
InChIKeyVQXJZDUQNQJLHS-UHFFFAOYSA-N
XLogP2.48
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidine?
The IUPAC name of 4-methyl-1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidine (CID 45210739) is 4-methyl-1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidine.
What is the SMILES notation for 4-methyl-1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidine?
The canonical SMILES for 4-methyl-1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidine is CCCS(=O)(=O)c1ncc(CN2CCC(C)CC2)n1CC1CCCO1.
What is the InChIKey of 4-methyl-1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidine?
The InChIKey is VQXJZDUQNQJLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3S/c1-3-11-25(22,23)18-19-12-16(13-20-8-6-15(2)7-9-20)21(18)14-17-5-4-10-24-17/h12,15,17H,3-11,13-14H2,1-2H3.
What are the key properties of 4-methyl-1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidine?
4-methyl-1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidine has a molecular weight of 369.53 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidine is sourced from PubChem (CID 45210739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).