[4-(aminomethyl)oxan-4-yl]-(5-methylthiophen-3-yl)methanone

C12H17NO2S — CID 116603243

IUPAC[4-(aminomethyl)oxan-4-yl]-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)C2(CN)CCOCC2)cs1
InChIInChI=1S/C12H17NO2S/c1-9-6-10(7-16-9)11(14)12(8-13)2-4-15-5-3-12/h6-7H,2-5,8,13H2,1H3
InChIKeyHOKIRWBYJXWUPJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.99
Rot. Bonds3

About [4-(aminomethyl)oxan-4-yl]-(5-methylthiophen-3-yl)methanone

[4-(aminomethyl)oxan-4-yl]-(5-methylthiophen-3-yl)methanone (PubChem CID 116603243) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-(5-methylthiophen-3-yl)methanone
PubChem CID116603243
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name[4-(aminomethyl)oxan-4-yl]-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)C2(CN)CCOCC2)cs1
InChIInChI=1S/C12H17NO2S/c1-9-6-10(7-16-9)11(14)12(8-13)2-4-15-5-3-12/h6-7H,2-5,8,13H2,1H3
InChIKeyHOKIRWBYJXWUPJ-UHFFFAOYSA-N
XLogP1.99
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(aminomethyl)oxan-4-yl]-(5-methylthiophen-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-aminocyclopentyl)-(5-methylthiophen-3-yl)methanone
CID 116558927
[4-(aminomethyl)oxan-4-yl]-(4-propoxyphenyl)methanone
CID 116603107
[4-(aminomethyl)oxan-4-yl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291122
1-[4-(aminomethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116603189
[4-(aminomethyl)oxan-4-yl]-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116603132
[4-(aminomethyl)oxan-4-yl]-(2,6-difluoro-3-methylphenyl)methanone
CID 116603226
[4-(aminomethyl)oxan-4-yl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102756941
(1-methoxycyclobutyl)-(5-methylthiophen-3-yl)methanone
CID 116707055
[1-(aminomethyl)cyclopropyl]-(4-methylphenyl)methanone
CID 116601146
[4-(aminomethyl)oxan-4-yl]-(2-amino-4-methyl-3-pyridinyl)methanone
CID 116603035
[4-(aminomethyl)oxan-4-yl]-(2,3,4-trifluorophenyl)methanone
CID 116603183
2-(1-aminocyclopentyl)-1-(5-methylthiophen-3-yl)ethanone
CID 116578861

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-(5-methylthiophen-3-yl)methanone?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-(5-methylthiophen-3-yl)methanone (CID 116603243) is [4-(aminomethyl)oxan-4-yl]-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-(5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)C2(CN)CCOCC2)cs1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-(5-methylthiophen-3-yl)methanone?
The InChIKey is HOKIRWBYJXWUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9-6-10(7-16-9)11(14)12(8-13)2-4-15-5-3-12/h6-7H,2-5,8,13H2,1H3.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-(5-methylthiophen-3-yl)methanone?
[4-(aminomethyl)oxan-4-yl]-(5-methylthiophen-3-yl)methanone has a molecular weight of 239.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 116603243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).