2-methyl-2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol

C8H13NO3S2 — CID 131169328

IUPAC2-methyl-2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol
SMILESCC(C)(C(O)c1ccsn1)S(C)(=O)=O
InChIInChI=1S/C8H13NO3S2/c1-8(2,14(3,11)12)7(10)6-4-5-13-9-6/h4-5,7,10H,1-3H3
InChIKeyIJSADOWTSDMREP-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.00
Rot. Bonds3

About 2-methyl-2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol

2-methyl-2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol (PubChem CID 131169328) has the molecular formula C8H13NO3S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methyl-2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol
PubChem CID131169328
Molecular FormulaC8H13NO3S2
Molecular Weight235.33 g/mol
Exact Mass235.03
IUPAC Name2-methyl-2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol
SMILESCC(C)(C(O)c1ccsn1)S(C)(=O)=O
InChIInChI=1S/C8H13NO3S2/c1-8(2,14(3,11)12)7(10)6-4-5-13-9-6/h4-5,7,10H,1-3H3
InChIKeyIJSADOWTSDMREP-UHFFFAOYSA-N
XLogP1.00
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(1,2-thiazol-3-yl)butyl]sulfonylbutane-1,1-diol
CID 170770087
1-(1,2-Thiazol-3-yl)butan-1-ol
CID 130642506
3,3-Dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol
CID 126985715
Cyclopropyl(1,2-thiazol-3-yl)methanol
CID 127002567
2-Methoxy-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol
CID 127002572
1-(1,2-Thiazol-3-yl)propane-1,2-diol
CID 130604797
1,1-Dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol
CID 130604801
2-Methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
CID 130604864
2-Methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)ethanol
CID 130604877
(1-Methylsulfanylcyclobutyl)-(1,2-thiazol-3-yl)methanol
CID 130632212
2-(Thian-4-yl)-1-(1,2-thiazol-3-yl)ethanol
CID 130637260
2-Methyl-1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol
CID 130646686

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol?
The IUPAC name of 2-methyl-2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol (CID 131169328) is 2-methyl-2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol?
The canonical SMILES for 2-methyl-2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol is CC(C)(C(O)c1ccsn1)S(C)(=O)=O.
What is the InChIKey of 2-methyl-2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol?
The InChIKey is IJSADOWTSDMREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S2/c1-8(2,14(3,11)12)7(10)6-4-5-13-9-6/h4-5,7,10H,1-3H3.
What are the key properties of 2-methyl-2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol?
2-methyl-2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol is sourced from PubChem (CID 131169328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).