1-(5-bromothiophen-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine

C13H14BrNS3 — CID 81261725

IUPAC1-(5-bromothiophen-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)s1)c1cc2c(s1)CCSC2
InChIInChI=1S/C13H14BrNS3/c1-15-13(10-2-3-12(14)18-10)11-6-8-7-16-5-4-9(8)17-11/h2-3,6,13,15H,4-5,7H2,1H3
InChIKeyWGZCIEHDPGCVTI-UHFFFAOYSA-N
MW360.37 g/mol
LogP4.67
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine

1-(5-bromothiophen-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine (PubChem CID 81261725) has the molecular formula C13H14BrNS3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
PubChem CID81261725
Molecular FormulaC13H14BrNS3
Molecular Weight360.37 g/mol
Exact Mass358.95
IUPAC Name1-(5-bromothiophen-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)s1)c1cc2c(s1)CCSC2
InChIInChI=1S/C13H14BrNS3/c1-15-13(10-2-3-12(14)18-10)11-6-8-7-16-5-4-9(8)17-11/h2-3,6,13,15H,4-5,7H2,1H3
InChIKeyWGZCIEHDPGCVTI-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine (CID 81261725) is 1-(5-bromothiophen-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine is CNC(c1ccc(Br)s1)c1cc2c(s1)CCSC2.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine?
The InChIKey is WGZCIEHDPGCVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS3/c1-15-13(10-2-3-12(14)18-10)11-6-8-7-16-5-4-9(8)17-11/h2-3,6,13,15H,4-5,7H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine?
1-(5-bromothiophen-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine has a molecular weight of 360.37 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 81261725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).