1-[(7R)-2-bromo-3-chloro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine

C9H11BrClNOS — CID 124566623

IUPAC1-[(7R)-2-bromo-3-chloro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine
SMILESCNC[C@H]1OCCc2c1sc(Br)c2Cl
InChIInChI=1S/C9H11BrClNOS/c1-12-4-6-8-5(2-3-13-6)7(11)9(10)14-8/h6,12H,2-4H2,1H3/t6-/m1/s1
InChIKeyNGRIHWBDQMEDHK-ZCFIWIBFSA-N
MW296.62 g/mol
LogP3.00
Rot. Bonds2

About 1-[(7R)-2-bromo-3-chloro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine

1-[(7R)-2-bromo-3-chloro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine (PubChem CID 124566623) has the molecular formula C9H11BrClNOS and a molecular weight of 296.62 g/mol. Its IUPAC name is 1-[(7R)-2-bromo-3-chloro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(7R)-2-bromo-3-chloro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine
PubChem CID124566623
Molecular FormulaC9H11BrClNOS
Molecular Weight296.62 g/mol
Exact Mass294.94
IUPAC Name1-[(7R)-2-bromo-3-chloro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine
SMILESCNC[C@H]1OCCc2c1sc(Br)c2Cl
InChIInChI=1S/C9H11BrClNOS/c1-12-4-6-8-5(2-3-13-6)7(11)9(10)14-8/h6,12H,2-4H2,1H3/t6-/m1/s1
InChIKeyNGRIHWBDQMEDHK-ZCFIWIBFSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.62
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(7R)-2-bromo-3-chloro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine?
The IUPAC name of 1-[(7R)-2-bromo-3-chloro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine (CID 124566623) is 1-[(7R)-2-bromo-3-chloro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(7R)-2-bromo-3-chloro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(7R)-2-bromo-3-chloro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine is CNC[C@H]1OCCc2c1sc(Br)c2Cl.
What is the InChIKey of 1-[(7R)-2-bromo-3-chloro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine?
The InChIKey is NGRIHWBDQMEDHK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11BrClNOS/c1-12-4-6-8-5(2-3-13-6)7(11)9(10)14-8/h6,12H,2-4H2,1H3/t6-/m1/s1.
What are the key properties of 1-[(7R)-2-bromo-3-chloro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine?
1-[(7R)-2-bromo-3-chloro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine has a molecular weight of 296.62 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7R)-2-bromo-3-chloro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine is sourced from PubChem (CID 124566623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).