1-[(6-bromo-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidine

C15H20BrNS — CID 19982148

IUPAC1-[(6-bromo-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidine
SMILESBrc1ccc2c(c1)CC(CN1CCCCC1)CS2
InChIInChI=1S/C15H20BrNS/c16-14-4-5-15-13(9-14)8-12(11-18-15)10-17-6-2-1-3-7-17/h4-5,9,12H,1-3,6-8,10-11H2
InChIKeySOHNLYGDBCDUON-UHFFFAOYSA-N
MW326.30 g/mol
LogP4.20
Rot. Bonds2

About 1-[(6-bromo-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidine

1-[(6-bromo-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidine (PubChem CID 19982148) has the molecular formula C15H20BrNS and a molecular weight of 326.30 g/mol. Its IUPAC name is 1-[(6-bromo-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(6-bromo-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidine
PubChem CID19982148
Molecular FormulaC15H20BrNS
Molecular Weight326.30 g/mol
Exact Mass325.05
IUPAC Name1-[(6-bromo-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidine
SMILESBrc1ccc2c(c1)CC(CN1CCCCC1)CS2
InChIInChI=1S/C15H20BrNS/c16-14-4-5-15-13(9-14)8-12(11-18-15)10-17-6-2-1-3-7-17/h4-5,9,12H,1-3,6-8,10-11H2
InChIKeySOHNLYGDBCDUON-UHFFFAOYSA-N
XLogP4.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromo-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidine?
The IUPAC name of 1-[(6-bromo-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidine (CID 19982148) is 1-[(6-bromo-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidine.
What is the SMILES notation for 1-[(6-bromo-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidine?
The canonical SMILES for 1-[(6-bromo-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidine is Brc1ccc2c(c1)CC(CN1CCCCC1)CS2.
What is the InChIKey of 1-[(6-bromo-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidine?
The InChIKey is SOHNLYGDBCDUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNS/c16-14-4-5-15-13(9-14)8-12(11-18-15)10-17-6-2-1-3-7-17/h4-5,9,12H,1-3,6-8,10-11H2.
What are the key properties of 1-[(6-bromo-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidine?
1-[(6-bromo-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidine has a molecular weight of 326.30 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromo-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidine is sourced from PubChem (CID 19982148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).