1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine

C14H18FNO2S2 — CID 115820928

IUPAC1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine
SMILESCNC(CCCS(C)(=O)=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C14H18FNO2S2/c1-16-12(4-3-7-20(2,17)18)14-8-10-5-6-11(15)9-13(10)19-14/h5-6,8-9,12,16H,3-4,7H2,1-2H3
InChIKeyIVSSBACSHSGKEN-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.13
Rot. Bonds6

About 1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine

1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine (PubChem CID 115820928) has the molecular formula C14H18FNO2S2 and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine
PubChem CID115820928
Molecular FormulaC14H18FNO2S2
Molecular Weight315.44 g/mol
Exact Mass315.08
IUPAC Name1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine
SMILESCNC(CCCS(C)(=O)=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C14H18FNO2S2/c1-16-12(4-3-7-20(2,17)18)14-8-10-5-6-11(15)9-13(10)19-14/h5-6,8-9,12,16H,3-4,7H2,1-2H3
InChIKeyIVSSBACSHSGKEN-UHFFFAOYSA-N
XLogP3.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine 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-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutyl]hydrazine
CID 105290885
1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutan-1-ol
CID 115780125
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyloctan-1-amine
CID 115832398
1-(6-fluoro-1-benzothiophen-2-yl)-4-methoxy-N-methylbutan-1-amine
CID 105055088
1-(6-fluoro-1-benzothiophen-2-yl)pentylhydrazine
CID 105293758
N-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine
CID 63192027
1-(3,5-difluorophenyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 63192091
2-cyclobutyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
CID 115863822
1-(6-fluoro-1-benzothiophen-2-yl)nonylhydrazine
CID 105294406
2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
CID 115847440
[1-(6-fluoro-1-benzothiophen-2-yl)-5,5-dimethylhexyl]hydrazine
CID 114211702
1-(5-fluoro-1-benzothiophen-2-yl)-N-methylhex-5-en-1-amine
CID 105153215

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine (CID 115820928) is 1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine is CNC(CCCS(C)(=O)=O)c1cc2ccc(F)cc2s1.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine?
The InChIKey is IVSSBACSHSGKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2S2/c1-16-12(4-3-7-20(2,17)18)14-8-10-5-6-11(15)9-13(10)19-14/h5-6,8-9,12,16H,3-4,7H2,1-2H3.
What are the key properties of 1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine?
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine has a molecular weight of 315.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 115820928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).