1-(2,5-dichlorophenyl)sulfanyl-1-thiophen-2-ylbutan-2-amine

C14H15Cl2NS2 — CID 55222456

IUPAC1-(2,5-dichlorophenyl)sulfanyl-1-thiophen-2-ylbutan-2-amine
SMILESCCC(N)C(Sc1cc(Cl)ccc1Cl)c1cccs1
InChIInChI=1S/C14H15Cl2NS2/c1-2-11(17)14(12-4-3-7-18-12)19-13-8-9(15)5-6-10(13)16/h3-8,11,14H,2,17H2,1H3
InChIKeyZLFBIEBNLJZCDH-UHFFFAOYSA-N
MW332.32 g/mol
LogP5.63
Rot. Bonds5

About 1-(2,5-dichlorophenyl)sulfanyl-1-thiophen-2-ylbutan-2-amine

1-(2,5-dichlorophenyl)sulfanyl-1-thiophen-2-ylbutan-2-amine (PubChem CID 55222456) has the molecular formula C14H15Cl2NS2 and a molecular weight of 332.32 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfanyl-1-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfanyl-1-thiophen-2-ylbutan-2-amine
PubChem CID55222456
Molecular FormulaC14H15Cl2NS2
Molecular Weight332.32 g/mol
Exact Mass331.00
IUPAC Name1-(2,5-dichlorophenyl)sulfanyl-1-thiophen-2-ylbutan-2-amine
SMILESCCC(N)C(Sc1cc(Cl)ccc1Cl)c1cccs1
InChIInChI=1S/C14H15Cl2NS2/c1-2-11(17)14(12-4-3-7-18-12)19-13-8-9(15)5-6-10(13)16/h3-8,11,14H,2,17H2,1H3
InChIKeyZLFBIEBNLJZCDH-UHFFFAOYSA-N
XLogP5.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.32
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfanyl-1-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfanyl-1-thiophen-2-ylbutan-2-amine (CID 55222456) is 1-(2,5-dichlorophenyl)sulfanyl-1-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfanyl-1-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfanyl-1-thiophen-2-ylbutan-2-amine is CCC(N)C(Sc1cc(Cl)ccc1Cl)c1cccs1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfanyl-1-thiophen-2-ylbutan-2-amine?
The InChIKey is ZLFBIEBNLJZCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NS2/c1-2-11(17)14(12-4-3-7-18-12)19-13-8-9(15)5-6-10(13)16/h3-8,11,14H,2,17H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)sulfanyl-1-thiophen-2-ylbutan-2-amine?
1-(2,5-dichlorophenyl)sulfanyl-1-thiophen-2-ylbutan-2-amine has a molecular weight of 332.32 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfanyl-1-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 55222456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).