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

C7H11NO3S2 — CID 130835212

IUPAC2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol
SMILESCC(C(O)c1ccsn1)S(C)(=O)=O
InChIInChI=1S/C7H11NO3S2/c1-5(13(2,10)11)7(9)6-3-4-12-8-6/h3-5,7,9H,1-2H3
InChIKeyWBNVDVFHGRVLDE-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.61
Rot. Bonds3

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

2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol (PubChem CID 130835212) has the molecular formula C7H11NO3S2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol
PubChem CID130835212
Molecular FormulaC7H11NO3S2
Molecular Weight221.30 g/mol
Exact Mass221.02
IUPAC Name2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol
SMILESCC(C(O)c1ccsn1)S(C)(=O)=O
InChIInChI=1S/C7H11NO3S2/c1-5(13(2,10)11)7(9)6-3-4-12-8-6/h3-5,7,9H,1-2H3
InChIKeyWBNVDVFHGRVLDE-UHFFFAOYSA-N
XLogP0.61
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Isothiazol-3-yl)ethanol
CID 19017861
(1S)-1-(1,2-thiazol-3-yl)ethanol
CID 118480475
1-(1,2-Thiazol-3-yl)butan-1-ol
CID 130642506
Thian-2-yl(1,2-thiazol-3-yl)methanol
CID 126985730
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-Methyl-1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol
CID 130646686
(1-Methylsulfanylcyclopropyl)-(1,2-thiazol-3-yl)methanol
CID 130663123
2-Methyl-1-(1,2-thiazol-3-yl)propane-1,2-diol
CID 130671124

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol?
The IUPAC name of 2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol (CID 130835212) is 2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol.
What is the SMILES notation for 2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol?
The canonical SMILES for 2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol is CC(C(O)c1ccsn1)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol?
The InChIKey is WBNVDVFHGRVLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S2/c1-5(13(2,10)11)7(9)6-3-4-12-8-6/h3-5,7,9H,1-2H3.
What are the key properties of 2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol?
2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol is sourced from PubChem (CID 130835212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).