1-(7-bromo-1-benzothiophen-3-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine

C15H18BrNO2S2 — CID 104519044

IUPAC1-(7-bromo-1-benzothiophen-3-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine
SMILESCNC(c1csc2c(Br)cccc12)C1CCCCS1(=O)=O
InChIInChI=1S/C15H18BrNO2S2/c1-17-14(13-7-2-3-8-21(13,18)19)11-9-20-15-10(11)5-4-6-12(15)16/h4-6,9,13-14,17H,2-3,7-8H2,1H3
InChIKeyDIBGRZJIVUVNTB-UHFFFAOYSA-N
MW388.35 g/mol
LogP3.89
Rot. Bonds3

About 1-(7-bromo-1-benzothiophen-3-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine

1-(7-bromo-1-benzothiophen-3-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine (PubChem CID 104519044) has the molecular formula C15H18BrNO2S2 and a molecular weight of 388.35 g/mol. Its IUPAC name is 1-(7-bromo-1-benzothiophen-3-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-bromo-1-benzothiophen-3-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine
PubChem CID104519044
Molecular FormulaC15H18BrNO2S2
Molecular Weight388.35 g/mol
Exact Mass387.00
IUPAC Name1-(7-bromo-1-benzothiophen-3-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine
SMILESCNC(c1csc2c(Br)cccc12)C1CCCCS1(=O)=O
InChIInChI=1S/C15H18BrNO2S2/c1-17-14(13-7-2-3-8-21(13,18)19)11-9-20-15-10(11)5-4-6-12(15)16/h4-6,9,13-14,17H,2-3,7-8H2,1H3
InChIKeyDIBGRZJIVUVNTB-UHFFFAOYSA-N
XLogP3.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(7-bromo-1-benzothiophen-3-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine 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-(7-bromo-1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 81141916
1-(2,3-dimethylphenyl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine
CID 115850460
1-(2-bicyclo[2.2.1]heptanyl)-1-(7-bromo-1-benzothiophen-3-yl)-N-methylmethanamine
CID 81133126
1-(2-chlorophenyl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine
CID 115801368
1-(1,1-dioxothian-2-yl)-N-methyl-1-thiophen-3-ylmethanamine
CID 104988457
1-(4-bromo-5-chloro-2-fluorophenyl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine
CID 105398705
(7-bromo-1-benzothiophen-3-yl)-cyclopentylmethanol
CID 81153438
1-(2,3-difluoro-4-methylphenyl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine
CID 107515345
1-(1,1-dioxothian-2-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 115853689
2-[1-benzothiophen-3-yl(bromo)methyl]thiane 1,1-dioxide
CID 104521507
2-(1-benzothiophen-3-yl)-1-(1,1-dioxothian-2-yl)-N-methylethanamine
CID 115823929
7-bromo-3-(1-bromo-2-cyclohexylethyl)-1-benzothiophene
CID 81147613

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzothiophen-3-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(7-bromo-1-benzothiophen-3-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine (CID 104519044) is 1-(7-bromo-1-benzothiophen-3-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-bromo-1-benzothiophen-3-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(7-bromo-1-benzothiophen-3-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine is CNC(c1csc2c(Br)cccc12)C1CCCCS1(=O)=O.
What is the InChIKey of 1-(7-bromo-1-benzothiophen-3-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine?
The InChIKey is DIBGRZJIVUVNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2S2/c1-17-14(13-7-2-3-8-21(13,18)19)11-9-20-15-10(11)5-4-6-12(15)16/h4-6,9,13-14,17H,2-3,7-8H2,1H3.
What are the key properties of 1-(7-bromo-1-benzothiophen-3-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine?
1-(7-bromo-1-benzothiophen-3-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine has a molecular weight of 388.35 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzothiophen-3-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine is sourced from PubChem (CID 104519044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).