(3-methylthiophen-2-yl)-(oxan-2-yl)methanone

C11H14O2S — CID 62214771

IUPAC(3-methylthiophen-2-yl)-(oxan-2-yl)methanone
SMILESCc1ccsc1C(=O)C1CCCCO1
InChIInChI=1S/C11H14O2S/c1-8-5-7-14-11(8)10(12)9-4-2-3-6-13-9/h5,7,9H,2-4,6H2,1H3
InChIKeyFBCVBAGUPCZEKN-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.81
Rot. Bonds2

About (3-methylthiophen-2-yl)-(oxan-2-yl)methanone

(3-methylthiophen-2-yl)-(oxan-2-yl)methanone (PubChem CID 62214771) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-(oxan-2-yl)methanone.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-(oxan-2-yl)methanone
PubChem CID62214771
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name(3-methylthiophen-2-yl)-(oxan-2-yl)methanone
SMILESCc1ccsc1C(=O)C1CCCCO1
InChIInChI=1S/C11H14O2S/c1-8-5-7-14-11(8)10(12)9-4-2-3-6-13-9/h5,7,9H,2-4,6H2,1H3
InChIKeyFBCVBAGUPCZEKN-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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

oxan-2-yl-(2,4,6-trimethylphenyl)methanone
CID 62214214
(4-methoxyphenyl)-(oxan-2-yl)methanone
CID 62212790
(3-methylphenyl)-(oxan-2-yl)methanone
CID 114962654
(4-hydroxyphenyl)-(oxan-2-yl)methanone
CID 67839565
(3-ethylcyclohexyl)-(3-methylthiophen-2-yl)methanone
CID 79990878
(3,4-dibromothiophen-2-yl)-(oxolan-2-yl)methanone
CID 79602229
3-methyl-N-(2-methylcyclohexyl)thiophene-2-carboxamide
CID 25162656
(5-ethylthiophen-2-yl)-(oxan-2-yl)methanone
CID 62213511
oxolan-2-yl-(2,4,6-trimethylphenyl)methanone
CID 43159907
(5-chlorothiophen-2-yl)-(oxan-2-yl)methanone
CID 62213512
(2,5-dimethylfuran-3-yl)-(oxan-2-yl)methanone
CID 62214951
cis-(1R,2S)-2-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97161349

Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-(oxan-2-yl)methanone?
The IUPAC name of (3-methylthiophen-2-yl)-(oxan-2-yl)methanone (CID 62214771) is (3-methylthiophen-2-yl)-(oxan-2-yl)methanone.
What is the SMILES notation for (3-methylthiophen-2-yl)-(oxan-2-yl)methanone?
The canonical SMILES for (3-methylthiophen-2-yl)-(oxan-2-yl)methanone is Cc1ccsc1C(=O)C1CCCCO1.
What is the InChIKey of (3-methylthiophen-2-yl)-(oxan-2-yl)methanone?
The InChIKey is FBCVBAGUPCZEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-8-5-7-14-11(8)10(12)9-4-2-3-6-13-9/h5,7,9H,2-4,6H2,1H3.
What are the key properties of (3-methylthiophen-2-yl)-(oxan-2-yl)methanone?
(3-methylthiophen-2-yl)-(oxan-2-yl)methanone has a molecular weight of 210.30 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-(oxan-2-yl)methanone is sourced from PubChem (CID 62214771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).