2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol

C8H13NO3S2 — CID 130604864

IUPAC2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
SMILESCc1cc(C(O)C(C)S(C)(=O)=O)sn1
InChIInChI=1S/C8H13NO3S2/c1-5-4-7(13-9-5)8(10)6(2)14(3,11)12/h4,6,8,10H,1-3H3
InChIKeySUHHNNXCFMIDGO-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.92
Rot. Bonds3

About 2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol

2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol (PubChem CID 130604864) has the molecular formula C8H13NO3S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
PubChem CID130604864
Molecular FormulaC8H13NO3S2
Molecular Weight235.33 g/mol
Exact Mass235.03
IUPAC Name2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
SMILESCc1cc(C(O)C(C)S(C)(=O)=O)sn1
InChIInChI=1S/C8H13NO3S2/c1-5-4-7(13-9-5)8(10)6(2)14(3,11)12/h4,6,8,10H,1-3H3
InChIKeySUHHNNXCFMIDGO-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Ethyl-5-isothiazolemethanol 5-methanesulfonate
CID 89816475
3-(3-Methyl-1,2-thiazol-5-yl)thiolan-3-ol
CID 126985769
(1-Methylsulfanylcyclobutyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130604836
2-Methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)ethanol
CID 130604877
1-(3-Methyl-1,2-thiazol-5-yl)butane-1,2-diol
CID 130621249
(3-Methyl-1,2-thiazol-5-yl)-(thian-3-yl)methanol
CID 130653496
(3-Methyl-1,2-thiazol-5-yl)-(thian-2-yl)methanol
CID 130735930
2-Methylsulfonyl-1-(1,2-thiazol-3-yl)ethanol
CID 130752198
2-Methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol
CID 130835212
1,4-Dithian-2-yl-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130905277
2-Methylsulfonyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 130952216
(3-Methyl-1,2-thiazol-5-yl)-(2-methylthiolan-2-yl)methanol
CID 131020113

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol?
The IUPAC name of 2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol (CID 130604864) is 2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol.
What is the SMILES notation for 2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol?
The canonical SMILES for 2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol is Cc1cc(C(O)C(C)S(C)(=O)=O)sn1.
What is the InChIKey of 2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol?
The InChIKey is SUHHNNXCFMIDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S2/c1-5-4-7(13-9-5)8(10)6(2)14(3,11)12/h4,6,8,10H,1-3H3.
What are the key properties of 2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol?
2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol is sourced from PubChem (CID 130604864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).