2-(5-bromo-3-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine

C14H15BrN2S2 — CID 105036782

IUPAC2-(5-bromo-3-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
SMILESNC(Cc1cncc(Br)c1)c1cc2c(s1)CCSC2
InChIInChI=1S/C14H15BrN2S2/c15-11-3-9(6-17-7-11)4-12(16)14-5-10-8-18-2-1-13(10)19-14/h3,5-7,12H,1-2,4,8,16H2
InChIKeyCKDWEZJOIQIOJX-UHFFFAOYSA-N
MW355.33 g/mol
LogP3.94
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine

2-(5-bromo-3-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine (PubChem CID 105036782) has the molecular formula C14H15BrN2S2 and a molecular weight of 355.33 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
PubChem CID105036782
Molecular FormulaC14H15BrN2S2
Molecular Weight355.33 g/mol
Exact Mass353.99
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
SMILESNC(Cc1cncc(Br)c1)c1cc2c(s1)CCSC2
InChIInChI=1S/C14H15BrN2S2/c15-11-3-9(6-17-7-11)4-12(16)14-5-10-8-18-2-1-13(10)19-14/h3,5-7,12H,1-2,4,8,16H2
InChIKeyCKDWEZJOIQIOJX-UHFFFAOYSA-N
XLogP3.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-3-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine with MolForge

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
CID 105037851
2-(3-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
CID 81261999
2-(5-bromo-2-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
CID 115839435
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylpentan-1-amine
CID 105028207
1-(1-benzothiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethanamine
CID 105036767
2-(3-bromo-5-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 115822790
3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-amine
CID 104994984
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)hex-5-yn-1-amine
CID 105033893
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-methylhexan-1-amine
CID 115845468
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 105042185
(4-bromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 105010695
2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105036929

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine (CID 105036782) is 2-(5-bromo-3-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine is NC(Cc1cncc(Br)c1)c1cc2c(s1)CCSC2.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine?
The InChIKey is CKDWEZJOIQIOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2S2/c15-11-3-9(6-17-7-11)4-12(16)14-5-10-8-18-2-1-13(10)19-14/h3,5-7,12H,1-2,4,8,16H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine?
2-(5-bromo-3-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine has a molecular weight of 355.33 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine is sourced from PubChem (CID 105036782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).