3-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-3,4-dihydro-2H-chromen-4-amine

C15H15BrN2OS — CID 64629232

IUPAC3-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1c2ccccc2OCC1Sc1ccc(Br)cn1
InChIInChI=1S/C15H15BrN2OS/c1-17-15-11-4-2-3-5-12(11)19-9-13(15)20-14-7-6-10(16)8-18-14/h2-8,13,15,17H,9H2,1H3
InChIKeyMQZNJKGUZVFPES-UHFFFAOYSA-N
MW351.27 g/mol
LogP3.66
Rot. Bonds3

About 3-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-3,4-dihydro-2H-chromen-4-amine

3-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 64629232) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is 3-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name3-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID64629232
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC Name3-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1c2ccccc2OCC1Sc1ccc(Br)cn1
InChIInChI=1S/C15H15BrN2OS/c1-17-15-11-4-2-3-5-12(11)19-9-13(15)20-14-7-6-10(16)8-18-14/h2-8,13,15,17H,9H2,1H3
InChIKeyMQZNJKGUZVFPES-UHFFFAOYSA-N
XLogP3.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethylphenyl)sulfanyl-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 64650328
N-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3,4-dihydro-2H-chromen-4-amine
CID 64647841
3-(2,4-difluorophenyl)sulfanyl-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 64615385
3-(3-methoxypropylsulfanyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 64628268
2-[(5-chloro-2-pyridinyl)sulfanyl]-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420601
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 86924670
2-[(5-bromo-2-pyridinyl)sulfanyl]-N,3,5-trimethylcyclohexan-1-amine
CID 64734810
3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 13446113
N,1,1-trimethyl-2,2a,3,8b-tetrahydrocyclobuta[c]chromen-2-amine
CID 81421466
N-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64626851
3-pyrimidin-2-ylsulfanyl-3,4-dihydro-2H-chromen-4-amine
CID 64648061
2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711947

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 3-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 64629232) is 3-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 3-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 3-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1c2ccccc2OCC1Sc1ccc(Br)cn1.
What is the InChIKey of 3-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is MQZNJKGUZVFPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c1-17-15-11-4-2-3-5-12(11)19-9-13(15)20-14-7-6-10(16)8-18-14/h2-8,13,15,17H,9H2,1H3.
What are the key properties of 3-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-3,4-dihydro-2H-chromen-4-amine?
3-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 351.27 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 64629232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).