[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methanol

C12H22N2O3S — CID 6458021

IUPAC[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methanol
SMILESCC(C)CCn1c(CO)cnc1S(=O)(=O)C(C)C
InChIInChI=1S/C12H22N2O3S/c1-9(2)5-6-14-11(8-15)7-13-12(14)18(16,17)10(3)4/h7,9-10,15H,5-6,8H2,1-4H3
InChIKeyCORXHTRKXPNZED-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.60
Rot. Bonds6

About [3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methanol

[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methanol (PubChem CID 6458021) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is [3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methanol
PubChem CID6458021
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methanol
SMILESCC(C)CCn1c(CO)cnc1S(=O)(=O)C(C)C
InChIInChI=1S/C12H22N2O3S/c1-9(2)5-6-14-11(8-15)7-13-12(14)18(16,17)10(3)4/h7,9-10,15H,5-6,8H2,1-4H3
InChIKeyCORXHTRKXPNZED-UHFFFAOYSA-N
XLogP1.60
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methanol?
The IUPAC name of [3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methanol (CID 6458021) is [3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methanol.
What is the SMILES notation for [3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methanol?
The canonical SMILES for [3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methanol is CC(C)CCn1c(CO)cnc1S(=O)(=O)C(C)C.
What is the InChIKey of [3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methanol?
The InChIKey is CORXHTRKXPNZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-9(2)5-6-14-11(8-15)7-13-12(14)18(16,17)10(3)4/h7,9-10,15H,5-6,8H2,1-4H3.
What are the key properties of [3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methanol?
[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methanol has a molecular weight of 274.39 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methanol is sourced from PubChem (CID 6458021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).