1-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-2-yl)butan-2-amine

C14H15Br2NS2 — CID 63537578

IUPAC1-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-2-yl)butan-2-amine
SMILESCCC(N)C(Sc1ccccc1Br)c1cc(Br)cs1
InChIInChI=1S/C14H15Br2NS2/c1-2-11(17)14(13-7-9(15)8-18-13)19-12-6-4-3-5-10(12)16/h3-8,11,14H,2,17H2,1H3
InChIKeyXNFNUTNQRGAQLH-UHFFFAOYSA-N
MW421.22 g/mol
LogP5.84
Rot. Bonds5

About 1-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-2-yl)butan-2-amine

1-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-2-yl)butan-2-amine (PubChem CID 63537578) has the molecular formula C14H15Br2NS2 and a molecular weight of 421.22 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-2-yl)butan-2-amine
PubChem CID63537578
Molecular FormulaC14H15Br2NS2
Molecular Weight421.22 g/mol
Exact Mass418.90
IUPAC Name1-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-2-yl)butan-2-amine
SMILESCCC(N)C(Sc1ccccc1Br)c1cc(Br)cs1
InChIInChI=1S/C14H15Br2NS2/c1-2-11(17)14(13-7-9(15)8-18-13)19-12-6-4-3-5-10(12)16/h3-8,11,14H,2,17H2,1H3
InChIKeyXNFNUTNQRGAQLH-UHFFFAOYSA-N
XLogP5.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.22
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-2-yl)butan-2-amine?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-2-yl)butan-2-amine (CID 63537578) is 1-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-2-yl)butan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-2-yl)butan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-2-yl)butan-2-amine is CCC(N)C(Sc1ccccc1Br)c1cc(Br)cs1.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-2-yl)butan-2-amine?
The InChIKey is XNFNUTNQRGAQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NS2/c1-2-11(17)14(13-7-9(15)8-18-13)19-12-6-4-3-5-10(12)16/h3-8,11,14H,2,17H2,1H3.
What are the key properties of 1-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-2-yl)butan-2-amine?
1-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-2-yl)butan-2-amine has a molecular weight of 421.22 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-2-yl)butan-2-amine is sourced from PubChem (CID 63537578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).