(1-methoxycyclobutyl)-(5-methylthiophen-3-yl)methanone

C11H14O2S — CID 116707055

IUPAC(1-methoxycyclobutyl)-(5-methylthiophen-3-yl)methanone
SMILESCOC1(C(=O)c2csc(C)c2)CCC1
InChIInChI=1S/C11H14O2S/c1-8-6-9(7-14-8)10(12)11(13-2)4-3-5-11/h6-7H,3-5H2,1-2H3
InChIKeyTYHTXGLWSATQNM-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.81
Rot. Bonds3

About (1-methoxycyclobutyl)-(5-methylthiophen-3-yl)methanone

(1-methoxycyclobutyl)-(5-methylthiophen-3-yl)methanone (PubChem CID 116707055) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is (1-methoxycyclobutyl)-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(1-methoxycyclobutyl)-(5-methylthiophen-3-yl)methanone
PubChem CID116707055
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name(1-methoxycyclobutyl)-(5-methylthiophen-3-yl)methanone
SMILESCOC1(C(=O)c2csc(C)c2)CCC1
InChIInChI=1S/C11H14O2S/c1-8-6-9(7-14-8)10(12)11(13-2)4-3-5-11/h6-7H,3-5H2,1-2H3
InChIKeyTYHTXGLWSATQNM-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706979
(1-aminocyclopentyl)-(5-methylthiophen-3-yl)methanone
CID 116558927
2-(1-methoxycyclobutyl)-1-(5-methylthiophen-3-yl)ethanone
CID 103558846
[1-(dimethylamino)cyclopentyl]-(5-methylthiophen-3-yl)methanone
CID 79067454
[1-(dimethylamino)cycloheptyl]-(5-methylthiophen-3-yl)methanone
CID 79074712
(1-methoxycyclopentyl)-(4-methylphenyl)methanone
CID 104610071
(1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone
CID 116706943
(4-tert-butylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706927
(3-methylpiperidin-3-yl)-(5-methylthiophen-3-yl)methanone
CID 116569577
(1-methoxycyclobutyl)-(6-methyl-3-pyridinyl)methanone
CID 116707015
(3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone
CID 107559939
(1-methoxycyclopentyl)-(3-methylthiophen-2-yl)methanone
CID 104610097

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclobutyl)-(5-methylthiophen-3-yl)methanone?
The IUPAC name of (1-methoxycyclobutyl)-(5-methylthiophen-3-yl)methanone (CID 116707055) is (1-methoxycyclobutyl)-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for (1-methoxycyclobutyl)-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for (1-methoxycyclobutyl)-(5-methylthiophen-3-yl)methanone is COC1(C(=O)c2csc(C)c2)CCC1.
What is the InChIKey of (1-methoxycyclobutyl)-(5-methylthiophen-3-yl)methanone?
The InChIKey is TYHTXGLWSATQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-8-6-9(7-14-8)10(12)11(13-2)4-3-5-11/h6-7H,3-5H2,1-2H3.
What are the key properties of (1-methoxycyclobutyl)-(5-methylthiophen-3-yl)methanone?
(1-methoxycyclobutyl)-(5-methylthiophen-3-yl)methanone has a molecular weight of 210.30 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclobutyl)-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 116707055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).