5-ethylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol

C11H19NO3S2 — CID 65095838

IUPAC5-ethylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol
SMILESCCS(=O)(=O)CCCC(O)Cc1nc(C)cs1
InChIInChI=1S/C11H19NO3S2/c1-3-17(14,15)6-4-5-10(13)7-11-12-9(2)8-16-11/h8,10,13H,3-7H2,1-2H3
InChIKeyIDDJMNSJSZAEFT-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.57
Rot. Bonds7

About 5-ethylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol

5-ethylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol (PubChem CID 65095838) has the molecular formula C11H19NO3S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-ethylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol.

Molecular Properties

Compound Name5-ethylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol
PubChem CID65095838
Molecular FormulaC11H19NO3S2
Molecular Weight277.41 g/mol
Exact Mass277.08
IUPAC Name5-ethylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol
SMILESCCS(=O)(=O)CCCC(O)Cc1nc(C)cs1
InChIInChI=1S/C11H19NO3S2/c1-3-17(14,15)6-4-5-10(13)7-11-12-9(2)8-16-11/h8,10,13H,3-7H2,1-2H3
InChIKeyIDDJMNSJSZAEFT-UHFFFAOYSA-N
XLogP1.57
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol
CID 105117704
1-(4-methyl-1,3-thiazol-2-yl)-3-propylhexan-2-ol
CID 115824197
3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol
CID 115824151
1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol
CID 103452784
5-ethylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
CID 65095510
(2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 94605824
1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 62796871
3-amino-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol
CID 130589293
1-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-ol
CID 115824182
1-(3-bromo-5-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 79702691
4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103457297
1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 115824167

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol?
The IUPAC name of 5-ethylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol (CID 65095838) is 5-ethylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol.
What is the SMILES notation for 5-ethylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol?
The canonical SMILES for 5-ethylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol is CCS(=O)(=O)CCCC(O)Cc1nc(C)cs1.
What is the InChIKey of 5-ethylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol?
The InChIKey is IDDJMNSJSZAEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S2/c1-3-17(14,15)6-4-5-10(13)7-11-12-9(2)8-16-11/h8,10,13H,3-7H2,1-2H3.
What are the key properties of 5-ethylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol?
5-ethylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol is sourced from PubChem (CID 65095838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).