4-[3-(2-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-2-amine

C15H18BrN3S — CID 66144269

IUPAC4-[3-(2-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-2-amine
SMILESCNC(CSc1ccccc1Br)Cc1ccnc(N)c1
InChIInChI=1S/C15H18BrN3S/c1-18-12(8-11-6-7-19-15(17)9-11)10-20-14-5-3-2-4-13(14)16/h2-7,9,12,18H,8,10H2,1H3,(H2,17,19)
InChIKeyZHXCTMXQBBOWLE-UHFFFAOYSA-N
MW352.30 g/mol
LogP3.35
Rot. Bonds6

About 4-[3-(2-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-2-amine

4-[3-(2-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-2-amine (PubChem CID 66144269) has the molecular formula C15H18BrN3S and a molecular weight of 352.30 g/mol. Its IUPAC name is 4-[3-(2-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-(2-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-2-amine
PubChem CID66144269
Molecular FormulaC15H18BrN3S
Molecular Weight352.30 g/mol
Exact Mass351.04
IUPAC Name4-[3-(2-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-2-amine
SMILESCNC(CSc1ccccc1Br)Cc1ccnc(N)c1
InChIInChI=1S/C15H18BrN3S/c1-18-12(8-11-6-7-19-15(17)9-11)10-20-14-5-3-2-4-13(14)16/h2-7,9,12,18H,8,10H2,1H3,(H2,17,19)
InChIKeyZHXCTMXQBBOWLE-UHFFFAOYSA-N
XLogP3.35
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2-fluorophenyl)sulfanyl-2-(methylamino)propyl]pyridin-2-amine
CID 66051154
1-(2-bromophenyl)sulfanyl-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 66143687
1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144658
1-(2-bromophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 66143104
4-[2-(methylamino)-3-propylsulfanylpropyl]pyridin-2-amine
CID 65129317
4-[3-(4-bromophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine
CID 66055710
1-(2-bromophenyl)sulfanyl-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 66145246
[1-(2-bromophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105238103
1-(2-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144079
1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 66145628
4-[5-methoxy-2-(methylamino)pentyl]pyridin-2-amine
CID 65091866
1-(2-bromophenyl)sulfanyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-methylpropan-2-amine
CID 66144856

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-2-amine?
The IUPAC name of 4-[3-(2-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-2-amine (CID 66144269) is 4-[3-(2-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-2-amine.
What is the SMILES notation for 4-[3-(2-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-2-amine?
The canonical SMILES for 4-[3-(2-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-2-amine is CNC(CSc1ccccc1Br)Cc1ccnc(N)c1.
What is the InChIKey of 4-[3-(2-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-2-amine?
The InChIKey is ZHXCTMXQBBOWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3S/c1-18-12(8-11-6-7-19-15(17)9-11)10-20-14-5-3-2-4-13(14)16/h2-7,9,12,18H,8,10H2,1H3,(H2,17,19).
What are the key properties of 4-[3-(2-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-2-amine?
4-[3-(2-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-2-amine has a molecular weight of 352.30 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-2-amine is sourced from PubChem (CID 66144269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).