(2-methylsulfonyl-3-propylimidazol-4-yl)methanol

C8H14N2O3S — CID 46318665

IUPAC(2-methylsulfonyl-3-propylimidazol-4-yl)methanol
SMILESCCCn1c(CO)cnc1S(C)(=O)=O
InChIInChI=1S/C8H14N2O3S/c1-3-4-10-7(6-11)5-9-8(10)14(2,12)13/h5,11H,3-4,6H2,1-2H3
InChIKeyVDOYXPKZZWUXKN-UHFFFAOYSA-N
MW218.28 g/mol
LogP0.19
Rot. Bonds4

About (2-methylsulfonyl-3-propylimidazol-4-yl)methanol

(2-methylsulfonyl-3-propylimidazol-4-yl)methanol (PubChem CID 46318665) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is (2-methylsulfonyl-3-propylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(2-methylsulfonyl-3-propylimidazol-4-yl)methanol
PubChem CID46318665
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Name(2-methylsulfonyl-3-propylimidazol-4-yl)methanol
SMILESCCCn1c(CO)cnc1S(C)(=O)=O
InChIInChI=1S/C8H14N2O3S/c1-3-4-10-7(6-11)5-9-8(10)14(2,12)13/h5,11H,3-4,6H2,1-2H3
InChIKeyVDOYXPKZZWUXKN-UHFFFAOYSA-N
XLogP0.19
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methylsulfonyl-3-propylimidazol-4-yl)methanol?
The IUPAC name of (2-methylsulfonyl-3-propylimidazol-4-yl)methanol (CID 46318665) is (2-methylsulfonyl-3-propylimidazol-4-yl)methanol.
What is the SMILES notation for (2-methylsulfonyl-3-propylimidazol-4-yl)methanol?
The canonical SMILES for (2-methylsulfonyl-3-propylimidazol-4-yl)methanol is CCCn1c(CO)cnc1S(C)(=O)=O.
What is the InChIKey of (2-methylsulfonyl-3-propylimidazol-4-yl)methanol?
The InChIKey is VDOYXPKZZWUXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-3-4-10-7(6-11)5-9-8(10)14(2,12)13/h5,11H,3-4,6H2,1-2H3.
What are the key properties of (2-methylsulfonyl-3-propylimidazol-4-yl)methanol?
(2-methylsulfonyl-3-propylimidazol-4-yl)methanol has a molecular weight of 218.28 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfonyl-3-propylimidazol-4-yl)methanol is sourced from PubChem (CID 46318665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).