(2S)-1-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylpropan-2-ol

C11H20N2O2S — CID 99800791

IUPAC(2S)-1-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylpropan-2-ol
SMILESCOCCn1c(SC[C@H](C)O)nc(C)c1C
InChIInChI=1S/C11H20N2O2S/c1-8(14)7-16-11-12-9(2)10(3)13(11)5-6-15-4/h8,14H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyORRVPZWXHVAEKE-QMMMGPOBSA-N
MW244.36 g/mol
LogP1.62
Rot. Bonds6

About (2S)-1-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylpropan-2-ol

(2S)-1-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylpropan-2-ol (PubChem CID 99800791) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is (2S)-1-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylpropan-2-ol
PubChem CID99800791
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name(2S)-1-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylpropan-2-ol
SMILESCOCCn1c(SC[C@H](C)O)nc(C)c1C
InChIInChI=1S/C11H20N2O2S/c1-8(14)7-16-11-12-9(2)10(3)13(11)5-6-15-4/h8,14H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyORRVPZWXHVAEKE-QMMMGPOBSA-N
XLogP1.62
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylpropan-2-ol?
The IUPAC name of (2S)-1-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylpropan-2-ol (CID 99800791) is (2S)-1-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylpropan-2-ol.
What is the SMILES notation for (2S)-1-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylpropan-2-ol?
The canonical SMILES for (2S)-1-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylpropan-2-ol is COCCn1c(SC[C@H](C)O)nc(C)c1C.
What is the InChIKey of (2S)-1-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylpropan-2-ol?
The InChIKey is ORRVPZWXHVAEKE-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-8(14)7-16-11-12-9(2)10(3)13(11)5-6-15-4/h8,14H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of (2S)-1-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylpropan-2-ol?
(2S)-1-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylpropan-2-ol has a molecular weight of 244.36 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylpropan-2-ol is sourced from PubChem (CID 99800791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).