(1-methoxycyclopentyl)-(3-methylthiophen-2-yl)methanone

C12H16O2S — CID 104610097

IUPAC(1-methoxycyclopentyl)-(3-methylthiophen-2-yl)methanone
SMILESCOC1(C(=O)c2sccc2C)CCCC1
InChIInChI=1S/C12H16O2S/c1-9-5-8-15-10(9)11(13)12(14-2)6-3-4-7-12/h5,8H,3-4,6-7H2,1-2H3
InChIKeyNZOCNQKCLJVBHL-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.20
Rot. Bonds3

About (1-methoxycyclopentyl)-(3-methylthiophen-2-yl)methanone

(1-methoxycyclopentyl)-(3-methylthiophen-2-yl)methanone (PubChem CID 104610097) has the molecular formula C12H16O2S and a molecular weight of 224.32 g/mol. Its IUPAC name is (1-methoxycyclopentyl)-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(1-methoxycyclopentyl)-(3-methylthiophen-2-yl)methanone
PubChem CID104610097
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
Exact Mass224.09
IUPAC Name(1-methoxycyclopentyl)-(3-methylthiophen-2-yl)methanone
SMILESCOC1(C(=O)c2sccc2C)CCCC1
InChIInChI=1S/C12H16O2S/c1-9-5-8-15-10(9)11(13)12(14-2)6-3-4-7-12/h5,8H,3-4,6-7H2,1-2H3
InChIKeyNZOCNQKCLJVBHL-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methoxy-4,4-dimethylcyclohexyl)-(3-methylthiophen-2-yl)methanone
CID 116750323
[1-(dimethylamino)cyclopentyl]-(3-methylthiophen-2-yl)methanone
CID 79991094
(1-methoxycycloheptyl)-thiophen-2-ylmethanone
CID 116750550
(1-methoxycyclopentyl)-(4-methylphenyl)methanone
CID 104610071
(1-methoxycyclobutyl)-thiophen-2-ylmethanone
CID 116707010
(1-methoxycycloheptyl)-(5-methylthiophen-2-yl)methanone
CID 116750454
(3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone
CID 107559939
(3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706979
1-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341633
(1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone
CID 116706943
2-(3-chlorothiophen-2-yl)-1-(1-methoxycycloheptyl)ethanone
CID 112749502
(1-methoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 104610261

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclopentyl)-(3-methylthiophen-2-yl)methanone?
The IUPAC name of (1-methoxycyclopentyl)-(3-methylthiophen-2-yl)methanone (CID 104610097) is (1-methoxycyclopentyl)-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for (1-methoxycyclopentyl)-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for (1-methoxycyclopentyl)-(3-methylthiophen-2-yl)methanone is COC1(C(=O)c2sccc2C)CCCC1.
What is the InChIKey of (1-methoxycyclopentyl)-(3-methylthiophen-2-yl)methanone?
The InChIKey is NZOCNQKCLJVBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2S/c1-9-5-8-15-10(9)11(13)12(14-2)6-3-4-7-12/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of (1-methoxycyclopentyl)-(3-methylthiophen-2-yl)methanone?
(1-methoxycyclopentyl)-(3-methylthiophen-2-yl)methanone has a molecular weight of 224.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclopentyl)-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 104610097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).