5-methylsulfonyl-1-thiophen-2-ylpentan-2-ol

C10H16O3S2 — CID 63192447

IUPAC5-methylsulfonyl-1-thiophen-2-ylpentan-2-ol
SMILESCS(=O)(=O)CCCC(O)Cc1cccs1
InChIInChI=1S/C10H16O3S2/c1-15(12,13)7-3-4-9(11)8-10-5-2-6-14-10/h2,5-6,9,11H,3-4,7-8H2,1H3
InChIKeyLBWDWMLQTUGYSJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.48
Rot. Bonds6

About 5-methylsulfonyl-1-thiophen-2-ylpentan-2-ol

5-methylsulfonyl-1-thiophen-2-ylpentan-2-ol (PubChem CID 63192447) has the molecular formula C10H16O3S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-methylsulfonyl-1-thiophen-2-ylpentan-2-ol.

Molecular Properties

Compound Name5-methylsulfonyl-1-thiophen-2-ylpentan-2-ol
PubChem CID63192447
Molecular FormulaC10H16O3S2
Molecular Weight248.37 g/mol
Exact Mass248.05
IUPAC Name5-methylsulfonyl-1-thiophen-2-ylpentan-2-ol
SMILESCS(=O)(=O)CCCC(O)Cc1cccs1
InChIInChI=1S/C10H16O3S2/c1-15(12,13)7-3-4-9(11)8-10-5-2-6-14-10/h2,5-6,9,11H,3-4,7-8H2,1H3
InChIKeyLBWDWMLQTUGYSJ-UHFFFAOYSA-N
XLogP1.48
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-methylsulfonyl-7-thiophen-2-ylheptan-4-amine
CID 105113307
4-amino-1-thiophen-2-ylbutan-2-ol
CID 71778098
(1-methylsulfonyl-7-thiophen-2-ylheptan-4-yl)hydrazine
CID 105290949
N-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine
CID 63192027
1-chloro-3-thiophen-2-ylpropan-2-ol
CID 82254078
8-thiophen-2-yloctan-4-ol
CID 64516293
4-amino-6-methylsulfonyl-1-thiophen-2-ylhexan-3-one
CID 116551988
1-(4-propan-2-ylphenyl)-5-thiophen-2-ylpentan-2-ol
CID 105089080
3-methoxy-1-thiophen-2-ylbutan-2-ol
CID 79616428
1-pyridin-4-yl-5-thiophen-2-ylpentan-2-ol
CID 66460697
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 57167888

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-1-thiophen-2-ylpentan-2-ol?
The IUPAC name of 5-methylsulfonyl-1-thiophen-2-ylpentan-2-ol (CID 63192447) is 5-methylsulfonyl-1-thiophen-2-ylpentan-2-ol.
What is the SMILES notation for 5-methylsulfonyl-1-thiophen-2-ylpentan-2-ol?
The canonical SMILES for 5-methylsulfonyl-1-thiophen-2-ylpentan-2-ol is CS(=O)(=O)CCCC(O)Cc1cccs1.
What is the InChIKey of 5-methylsulfonyl-1-thiophen-2-ylpentan-2-ol?
The InChIKey is LBWDWMLQTUGYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3S2/c1-15(12,13)7-3-4-9(11)8-10-5-2-6-14-10/h2,5-6,9,11H,3-4,7-8H2,1H3.
What are the key properties of 5-methylsulfonyl-1-thiophen-2-ylpentan-2-ol?
5-methylsulfonyl-1-thiophen-2-ylpentan-2-ol has a molecular weight of 248.37 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-1-thiophen-2-ylpentan-2-ol is sourced from PubChem (CID 63192447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).