N-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-methylsulfonylpyridin-3-amine

C14H15BrN2O2S2 — CID 82686299

IUPACN-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-methylsulfonylpyridin-3-amine
SMILESCS(=O)(=O)c1ccc(NC2CCCc3sc(Br)cc32)cn1
InChIInChI=1S/C14H15BrN2O2S2/c1-21(18,19)14-6-5-9(8-16-14)17-11-3-2-4-12-10(11)7-13(15)20-12/h5-8,11,17H,2-4H2,1H3
InChIKeyNRQMKLPCIORECA-UHFFFAOYSA-N
MW387.32 g/mol
LogP3.80
Rot. Bonds3

About N-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-methylsulfonylpyridin-3-amine

N-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-methylsulfonylpyridin-3-amine (PubChem CID 82686299) has the molecular formula C14H15BrN2O2S2 and a molecular weight of 387.32 g/mol. Its IUPAC name is N-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-methylsulfonylpyridin-3-amine.

Molecular Properties

Compound NameN-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-methylsulfonylpyridin-3-amine
PubChem CID82686299
Molecular FormulaC14H15BrN2O2S2
Molecular Weight387.32 g/mol
Exact Mass385.98
IUPAC NameN-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-methylsulfonylpyridin-3-amine
SMILESCS(=O)(=O)c1ccc(NC2CCCc3sc(Br)cc32)cn1
InChIInChI=1S/C14H15BrN2O2S2/c1-21(18,19)14-6-5-9(8-16-14)17-11-3-2-4-12-10(11)7-13(15)20-12/h5-8,11,17H,2-4H2,1H3
InChIKeyNRQMKLPCIORECA-UHFFFAOYSA-N
XLogP3.80
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-methylsulfonylpyridin-3-amine with MolForge

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Related Compounds

4-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]benzenesulfonamide
CID 82686722
2-bromo-N-(4-bromo-3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687344
N-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1-methylpyrazol-4-amine
CID 82686391
2-bromo-N-(4-propoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82010961
2-bromo-N-(4-bromo-3,5-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 107571973
2-bromo-N-(3-bromophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687029
N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-ethoxypyridin-3-amine
CID 82690731
2-bromo-N-(3-bromo-5-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82858389
2-bromo-N-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686874
2-bromo-N-(3-chloro-4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82012021
5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-2-chlorobenzamide
CID 82686883
4-[(6-methylsulfonyl-3-pyridinyl)amino]cyclohexan-1-ol
CID 106593692

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-methylsulfonylpyridin-3-amine?
The IUPAC name of N-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-methylsulfonylpyridin-3-amine (CID 82686299) is N-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-methylsulfonylpyridin-3-amine.
What is the SMILES notation for N-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-methylsulfonylpyridin-3-amine?
The canonical SMILES for N-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-methylsulfonylpyridin-3-amine is CS(=O)(=O)c1ccc(NC2CCCc3sc(Br)cc32)cn1.
What is the InChIKey of N-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-methylsulfonylpyridin-3-amine?
The InChIKey is NRQMKLPCIORECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S2/c1-21(18,19)14-6-5-9(8-16-14)17-11-3-2-4-12-10(11)7-13(15)20-12/h5-8,11,17H,2-4H2,1H3.
What are the key properties of N-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-methylsulfonylpyridin-3-amine?
N-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-methylsulfonylpyridin-3-amine has a molecular weight of 387.32 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-methylsulfonylpyridin-3-amine is sourced from PubChem (CID 82686299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).