[5-(aminomethyl)furan-2-yl]-(2-methylthiophen-3-yl)methanone

C11H11NO2S — CID 102839549

IUPAC[5-(aminomethyl)furan-2-yl]-(2-methylthiophen-3-yl)methanone
SMILESCc1sccc1C(=O)c1ccc(CN)o1
InChIInChI=1S/C11H11NO2S/c1-7-9(4-5-15-7)11(13)10-3-2-8(6-12)14-10/h2-5H,6,12H2,1H3
InChIKeyAOVLMARZTHRVHK-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.34
Rot. Bonds3

About [5-(aminomethyl)furan-2-yl]-(2-methylthiophen-3-yl)methanone

[5-(aminomethyl)furan-2-yl]-(2-methylthiophen-3-yl)methanone (PubChem CID 102839549) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is [5-(aminomethyl)furan-2-yl]-(2-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)furan-2-yl]-(2-methylthiophen-3-yl)methanone
PubChem CID102839549
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name[5-(aminomethyl)furan-2-yl]-(2-methylthiophen-3-yl)methanone
SMILESCc1sccc1C(=O)c1ccc(CN)o1
InChIInChI=1S/C11H11NO2S/c1-7-9(4-5-15-7)11(13)10-3-2-8(6-12)14-10/h2-5H,6,12H2,1H3
InChIKeyAOVLMARZTHRVHK-UHFFFAOYSA-N
XLogP2.34
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2-methylthiophen-3-yl)methanone
CID 101441488
[5-(aminomethyl)furan-2-yl]-naphthalen-1-ylmethanone
CID 116590185
furan-2-yl-(2-methylthiophen-3-yl)methanone
CID 102830703
[5-(aminomethyl)furan-2-yl]-(4-propan-2-ylphenyl)methanone
CID 82085122
[5-(aminomethyl)furan-2-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 116590130
(2-methylthiophen-3-yl)-thiophen-2-ylmethanone
CID 102830577
[5-(aminomethyl)furan-2-yl]-(1-methylpyrazol-4-yl)methanone
CID 116589973
[2-(aminomethyl)-4-pyridinyl]-(2-methylthiophen-3-yl)methanone
CID 102839616
[5-(aminomethyl)furan-2-yl]-(4-propoxyphenyl)methanone
CID 116590060
[5-(aminomethyl)furan-2-yl]-(3-methoxyphenyl)methanone
CID 82082014
(2-amino-5-methoxyphenyl)-(2-methylthiophen-3-yl)methanone
CID 102839622
[5-(aminomethyl)furan-2-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
CID 82084675

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)furan-2-yl]-(2-methylthiophen-3-yl)methanone?
The IUPAC name of [5-(aminomethyl)furan-2-yl]-(2-methylthiophen-3-yl)methanone (CID 102839549) is [5-(aminomethyl)furan-2-yl]-(2-methylthiophen-3-yl)methanone.
What is the SMILES notation for [5-(aminomethyl)furan-2-yl]-(2-methylthiophen-3-yl)methanone?
The canonical SMILES for [5-(aminomethyl)furan-2-yl]-(2-methylthiophen-3-yl)methanone is Cc1sccc1C(=O)c1ccc(CN)o1.
What is the InChIKey of [5-(aminomethyl)furan-2-yl]-(2-methylthiophen-3-yl)methanone?
The InChIKey is AOVLMARZTHRVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-7-9(4-5-15-7)11(13)10-3-2-8(6-12)14-10/h2-5H,6,12H2,1H3.
What are the key properties of [5-(aminomethyl)furan-2-yl]-(2-methylthiophen-3-yl)methanone?
[5-(aminomethyl)furan-2-yl]-(2-methylthiophen-3-yl)methanone has a molecular weight of 221.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)furan-2-yl]-(2-methylthiophen-3-yl)methanone is sourced from PubChem (CID 102839549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).