1-(5-bromothiophen-2-yl)-1-[(3-methylphenyl)methylsulfanyl]propan-2-amine

C15H18BrNS2 — CID 62771792

IUPAC1-(5-bromothiophen-2-yl)-1-[(3-methylphenyl)methylsulfanyl]propan-2-amine
SMILESCc1cccc(CSC(c2ccc(Br)s2)C(C)N)c1
InChIInChI=1S/C15H18BrNS2/c1-10-4-3-5-12(8-10)9-18-15(11(2)17)13-6-7-14(16)19-13/h3-8,11,15H,9,17H2,1-2H3
InChIKeyRCANMTJLDSPDDZ-UHFFFAOYSA-N
MW356.35 g/mol
LogP5.14
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-1-[(3-methylphenyl)methylsulfanyl]propan-2-amine

1-(5-bromothiophen-2-yl)-1-[(3-methylphenyl)methylsulfanyl]propan-2-amine (PubChem CID 62771792) has the molecular formula C15H18BrNS2 and a molecular weight of 356.35 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-1-[(3-methylphenyl)methylsulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-1-[(3-methylphenyl)methylsulfanyl]propan-2-amine
PubChem CID62771792
Molecular FormulaC15H18BrNS2
Molecular Weight356.35 g/mol
Exact Mass355.01
IUPAC Name1-(5-bromothiophen-2-yl)-1-[(3-methylphenyl)methylsulfanyl]propan-2-amine
SMILESCc1cccc(CSC(c2ccc(Br)s2)C(C)N)c1
InChIInChI=1S/C15H18BrNS2/c1-10-4-3-5-12(8-10)9-18-15(11(2)17)13-6-7-14(16)19-13/h3-8,11,15H,9,17H2,1-2H3
InChIKeyRCANMTJLDSPDDZ-UHFFFAOYSA-N
XLogP5.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.35
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-1-[(3-methylphenyl)methylsulfanyl]propan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-1-[(3-methylphenyl)methylsulfanyl]propan-2-amine (CID 62771792) is 1-(5-bromothiophen-2-yl)-1-[(3-methylphenyl)methylsulfanyl]propan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-1-[(3-methylphenyl)methylsulfanyl]propan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-1-[(3-methylphenyl)methylsulfanyl]propan-2-amine is Cc1cccc(CSC(c2ccc(Br)s2)C(C)N)c1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-1-[(3-methylphenyl)methylsulfanyl]propan-2-amine?
The InChIKey is RCANMTJLDSPDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS2/c1-10-4-3-5-12(8-10)9-18-15(11(2)17)13-6-7-14(16)19-13/h3-8,11,15H,9,17H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-1-[(3-methylphenyl)methylsulfanyl]propan-2-amine?
1-(5-bromothiophen-2-yl)-1-[(3-methylphenyl)methylsulfanyl]propan-2-amine has a molecular weight of 356.35 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-1-[(3-methylphenyl)methylsulfanyl]propan-2-amine is sourced from PubChem (CID 62771792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).