2-[[5-(aminomethyl)-2-fluorophenyl]methylsulfinyl]-N,N-dimethylacetamide

C12H17FN2O2S — CID 114233485

IUPAC2-[[5-(aminomethyl)-2-fluorophenyl]methylsulfinyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)Cc1cc(CN)ccc1F
InChIInChI=1S/C12H17FN2O2S/c1-15(2)12(16)8-18(17)7-10-5-9(6-14)3-4-11(10)13/h3-5H,6-8,14H2,1-2H3
InChIKeyOQELXPHLDYDHKA-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.62
Rot. Bonds5

About 2-[[5-(aminomethyl)-2-fluorophenyl]methylsulfinyl]-N,N-dimethylacetamide

2-[[5-(aminomethyl)-2-fluorophenyl]methylsulfinyl]-N,N-dimethylacetamide (PubChem CID 114233485) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)-2-fluorophenyl]methylsulfinyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[5-(aminomethyl)-2-fluorophenyl]methylsulfinyl]-N,N-dimethylacetamide
PubChem CID114233485
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name2-[[5-(aminomethyl)-2-fluorophenyl]methylsulfinyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)Cc1cc(CN)ccc1F
InChIInChI=1S/C12H17FN2O2S/c1-15(2)12(16)8-18(17)7-10-5-9(6-14)3-4-11(10)13/h3-5H,6-8,14H2,1-2H3
InChIKeyOQELXPHLDYDHKA-UHFFFAOYSA-N
XLogP0.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[5-(aminomethyl)-2-fluorophenyl]methylsulfinyl]-N,N-dimethylacetamide 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

2-[3-(4-fluorophenyl)-2-oxopropyl]sulfinyl-N,N-dimethylacetamide
CID 114233158
2-[(3,4-dimethylphenyl)methylsulfinyl]-N,N-dimethylacetamide
CID 75379567
1-[[5-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-2-methylpropan-2-ol
CID 79382406
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-propylamino]-N,N-dimethylacetamide
CID 107878275
methyl 2-[[5-(aminomethyl)-2-fluorophenyl]methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 63382910
2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylacetamide
CID 107665283
2-[(5-chloro-2-fluorophenyl)methylsulfinyl]acetic acid
CID 103049315
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-2-ethoxy-N-methylethanamine
CID 81059786
[2-fluoro-5-[(2-methylphenyl)methylsulfinylmethyl]phenyl]methanamine
CID 107881573
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112657803
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylprop-2-en-1-amine
CID 107455650

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)-2-fluorophenyl]methylsulfinyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[[5-(aminomethyl)-2-fluorophenyl]methylsulfinyl]-N,N-dimethylacetamide (CID 114233485) is 2-[[5-(aminomethyl)-2-fluorophenyl]methylsulfinyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[5-(aminomethyl)-2-fluorophenyl]methylsulfinyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[5-(aminomethyl)-2-fluorophenyl]methylsulfinyl]-N,N-dimethylacetamide is CN(C)C(=O)CS(=O)Cc1cc(CN)ccc1F.
What is the InChIKey of 2-[[5-(aminomethyl)-2-fluorophenyl]methylsulfinyl]-N,N-dimethylacetamide?
The InChIKey is OQELXPHLDYDHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-15(2)12(16)8-18(17)7-10-5-9(6-14)3-4-11(10)13/h3-5H,6-8,14H2,1-2H3.
What are the key properties of 2-[[5-(aminomethyl)-2-fluorophenyl]methylsulfinyl]-N,N-dimethylacetamide?
2-[[5-(aminomethyl)-2-fluorophenyl]methylsulfinyl]-N,N-dimethylacetamide has a molecular weight of 272.34 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)-2-fluorophenyl]methylsulfinyl]-N,N-dimethylacetamide is sourced from PubChem (CID 114233485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).