1-(3-bromophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine

C13H14BrNS2 — CID 66159414

IUPAC1-(3-bromophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine
SMILESNC(CSc1cccc(Br)c1)Cc1ccsc1
InChIInChI=1S/C13H14BrNS2/c14-11-2-1-3-13(7-11)17-9-12(15)6-10-4-5-16-8-10/h1-5,7-8,12H,6,9,15H2
InChIKeySYCZXTADNOKWLF-UHFFFAOYSA-N
MW328.30 g/mol
LogP4.17
Rot. Bonds5

About 1-(3-bromophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine

1-(3-bromophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine (PubChem CID 66159414) has the molecular formula C13H14BrNS2 and a molecular weight of 328.30 g/mol. Its IUPAC name is 1-(3-bromophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine
PubChem CID66159414
Molecular FormulaC13H14BrNS2
Molecular Weight328.30 g/mol
Exact Mass326.98
IUPAC Name1-(3-bromophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine
SMILESNC(CSc1cccc(Br)c1)Cc1ccsc1
InChIInChI=1S/C13H14BrNS2/c14-11-2-1-3-13(7-11)17-9-12(15)6-10-4-5-16-8-10/h1-5,7-8,12H,6,9,15H2
InChIKeySYCZXTADNOKWLF-UHFFFAOYSA-N
XLogP4.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine
CID 66160000
1-(3-bromophenyl)sulfanyl-3-(5-bromo-3-pyridinyl)propan-2-amine
CID 104802808
1-(2-fluorophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine
CID 66051534
1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 66158625
1-(3-bromophenyl)sulfanylhex-5-yn-2-amine
CID 66159023
1-(3-bromophenyl)sulfanylundecan-2-amine
CID 66161373
1-(3-bromophenyl)sulfanyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876943
1-(3-bromophenyl)sulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 66160983
2-(3-bromophenyl)sulfanyl-1-thiophen-2-ylethanol
CID 63102586
1-(1-benzothiophen-7-yl)-2-(3-bromophenyl)sulfanylethanamine
CID 81154026
1-(3-bromophenyl)sulfanyl-5-methoxypentan-2-amine
CID 114856105
1-(3-fluorophenyl)sulfanyl-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 66072076

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1-(3-bromophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine (CID 66159414) is 1-(3-bromophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine is NC(CSc1cccc(Br)c1)Cc1ccsc1.
What is the InChIKey of 1-(3-bromophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine?
The InChIKey is SYCZXTADNOKWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS2/c14-11-2-1-3-13(7-11)17-9-12(15)6-10-4-5-16-8-10/h1-5,7-8,12H,6,9,15H2.
What are the key properties of 1-(3-bromophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine?
1-(3-bromophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine has a molecular weight of 328.30 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 66159414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).