1-(4-methoxythiophen-2-yl)-4-methylsulfonylbutan-1-ol

C10H16O4S2 — CID 115780120

IUPAC1-(4-methoxythiophen-2-yl)-4-methylsulfonylbutan-1-ol
SMILESCOc1csc(C(O)CCCS(C)(=O)=O)c1
InChIInChI=1S/C10H16O4S2/c1-14-8-6-10(15-7-8)9(11)4-3-5-16(2,12)13/h6-7,9,11H,3-5H2,1-2H3
InChIKeyRYRYLTDRDYUGQH-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.61
Rot. Bonds6

About 1-(4-methoxythiophen-2-yl)-4-methylsulfonylbutan-1-ol

1-(4-methoxythiophen-2-yl)-4-methylsulfonylbutan-1-ol (PubChem CID 115780120) has the molecular formula C10H16O4S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(4-methoxythiophen-2-yl)-4-methylsulfonylbutan-1-ol.

Molecular Properties

Compound Name1-(4-methoxythiophen-2-yl)-4-methylsulfonylbutan-1-ol
PubChem CID115780120
Molecular FormulaC10H16O4S2
Molecular Weight264.37 g/mol
Exact Mass264.05
IUPAC Name1-(4-methoxythiophen-2-yl)-4-methylsulfonylbutan-1-ol
SMILESCOc1csc(C(O)CCCS(C)(=O)=O)c1
InChIInChI=1S/C10H16O4S2/c1-14-8-6-10(15-7-8)9(11)4-3-5-16(2,12)13/h6-7,9,11H,3-5H2,1-2H3
InChIKeyRYRYLTDRDYUGQH-UHFFFAOYSA-N
XLogP1.61
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxythiophen-2-yl)pentan-1-ol
CID 115783270
1-(4-methoxythiophen-2-yl)hex-5-en-1-ol
CID 115804240
N-ethyl-1-(4-methoxythiophen-2-yl)-3-methylsulfonylpropan-1-amine
CID 115848647
1-(4-methoxythiophen-2-yl)hex-4-yn-1-ol
CID 115833633
1-(6-methoxynaphthalen-2-yl)-4-methylsulfonylbutan-1-ol
CID 65148541
1-(4-bromo-5-methylthiophen-2-yl)-4-methylsulfonylbutan-1-ol
CID 102829631
1-(4-methoxythiophen-2-yl)ethanol
CID 115840733
1-(4-methoxythiophen-2-yl)-2-thiophen-2-ylethanol
CID 81129052
1-(4-methoxythiophen-2-yl)pentan-1-amine
CID 115832999
1-(4-methoxythiophen-2-yl)-3-methylsulfonylpropan-1-one
CID 114969694
5,5,5-trifluoro-1-(4-methoxythiophen-2-yl)pentan-1-amine
CID 105024285
1-(4-methoxythiophen-2-yl)octan-1-amine
CID 115832439

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxythiophen-2-yl)-4-methylsulfonylbutan-1-ol?
The IUPAC name of 1-(4-methoxythiophen-2-yl)-4-methylsulfonylbutan-1-ol (CID 115780120) is 1-(4-methoxythiophen-2-yl)-4-methylsulfonylbutan-1-ol.
What is the SMILES notation for 1-(4-methoxythiophen-2-yl)-4-methylsulfonylbutan-1-ol?
The canonical SMILES for 1-(4-methoxythiophen-2-yl)-4-methylsulfonylbutan-1-ol is COc1csc(C(O)CCCS(C)(=O)=O)c1.
What is the InChIKey of 1-(4-methoxythiophen-2-yl)-4-methylsulfonylbutan-1-ol?
The InChIKey is RYRYLTDRDYUGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4S2/c1-14-8-6-10(15-7-8)9(11)4-3-5-16(2,12)13/h6-7,9,11H,3-5H2,1-2H3.
What are the key properties of 1-(4-methoxythiophen-2-yl)-4-methylsulfonylbutan-1-ol?
1-(4-methoxythiophen-2-yl)-4-methylsulfonylbutan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxythiophen-2-yl)-4-methylsulfonylbutan-1-ol is sourced from PubChem (CID 115780120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).