[4-(aminomethyl)thiophen-2-yl]-phenylmethanone

C12H11NOS — CID 12574077

IUPAC[4-(aminomethyl)thiophen-2-yl]-phenylmethanone
SMILESNCc1csc(C(=O)c2ccccc2)c1
InChIInChI=1S/C12H11NOS/c13-7-9-6-11(15-8-9)12(14)10-4-2-1-3-5-10/h1-6,8H,7,13H2
InChIKeyWGERYQHEKRWGPQ-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.44
Rot. Bonds3

About [4-(aminomethyl)thiophen-2-yl]-phenylmethanone

[4-(aminomethyl)thiophen-2-yl]-phenylmethanone (PubChem CID 12574077) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is [4-(aminomethyl)thiophen-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(aminomethyl)thiophen-2-yl]-phenylmethanone
PubChem CID12574077
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name[4-(aminomethyl)thiophen-2-yl]-phenylmethanone
SMILESNCc1csc(C(=O)c2ccccc2)c1
InChIInChI=1S/C12H11NOS/c13-7-9-6-11(15-8-9)12(14)10-4-2-1-3-5-10/h1-6,8H,7,13H2
InChIKeyWGERYQHEKRWGPQ-UHFFFAOYSA-N
XLogP2.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-methylphenyl)thiophen-2-yl]-phenylmethanone
CID 170851479
[4-[4-(aminomethyl)phenyl]sulfanylphenyl]-phenylmethanone
CID 150446587
(5-benzoylthiophen-2-yl)-phenylmethanone;boranuide
CID 158491316
diphenylmethanone
CID 3102
1-phenylethanone;phenylmethanamine
CID 174700909
[5-(2-aminoethyl)thiophen-2-yl]-phenylmethanone;hydrobromide
CID 72716719
diphenylmethanone;propan-1-amine
CID 174497329
[4-(2-aminoethyl)phenyl]-phenylmethanone
CID 14368635
bis(4-propylthiophen-2-yl)methanone
CID 67902455
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
[3-(1-amino-2-methylpropan-2-yl)phenyl]-(4-bromothiophen-2-yl)methanone
CID 84611703
N-[4-[5-(pyridine-3-carbonyl)thiophen-3-yl]butyl]benzenesulfonamide
CID 139687307

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)thiophen-2-yl]-phenylmethanone?
The IUPAC name of [4-(aminomethyl)thiophen-2-yl]-phenylmethanone (CID 12574077) is [4-(aminomethyl)thiophen-2-yl]-phenylmethanone.
What is the SMILES notation for [4-(aminomethyl)thiophen-2-yl]-phenylmethanone?
The canonical SMILES for [4-(aminomethyl)thiophen-2-yl]-phenylmethanone is NCc1csc(C(=O)c2ccccc2)c1.
What is the InChIKey of [4-(aminomethyl)thiophen-2-yl]-phenylmethanone?
The InChIKey is WGERYQHEKRWGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c13-7-9-6-11(15-8-9)12(14)10-4-2-1-3-5-10/h1-6,8H,7,13H2.
What are the key properties of [4-(aminomethyl)thiophen-2-yl]-phenylmethanone?
[4-(aminomethyl)thiophen-2-yl]-phenylmethanone has a molecular weight of 217.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)thiophen-2-yl]-phenylmethanone is sourced from PubChem (CID 12574077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).