1-(2,5-dichlorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)butan-2-amine

C15H17Cl2NS2 — CID 63536892

IUPAC1-(2,5-dichlorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)butan-2-amine
SMILESCCC(N)C(Sc1cc(Cl)ccc1Cl)c1ccc(C)s1
InChIInChI=1S/C15H17Cl2NS2/c1-3-12(18)15(13-7-4-9(2)19-13)20-14-8-10(16)5-6-11(14)17/h4-8,12,15H,3,18H2,1-2H3
InChIKeyDEMQWRZKJOSXCE-UHFFFAOYSA-N
MW346.35 g/mol
LogP5.93
Rot. Bonds5

About 1-(2,5-dichlorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)butan-2-amine

1-(2,5-dichlorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)butan-2-amine (PubChem CID 63536892) has the molecular formula C15H17Cl2NS2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)butan-2-amine
PubChem CID63536892
Molecular FormulaC15H17Cl2NS2
Molecular Weight346.35 g/mol
Exact Mass345.02
IUPAC Name1-(2,5-dichlorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)butan-2-amine
SMILESCCC(N)C(Sc1cc(Cl)ccc1Cl)c1ccc(C)s1
InChIInChI=1S/C15H17Cl2NS2/c1-3-12(18)15(13-7-4-9(2)19-13)20-14-8-10(16)5-6-11(14)17/h4-8,12,15H,3,18H2,1-2H3
InChIKeyDEMQWRZKJOSXCE-UHFFFAOYSA-N
XLogP5.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.35
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dichlorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dichlorophenyl)sulfanyl-1-thiophen-2-ylbutan-2-amine
CID 55222456
1-[(2-chlorophenyl)methylsulfanyl]-1-(5-methylthiophen-2-yl)butan-2-amine
CID 103288364
4-(2,5-dichlorophenyl)sulfanyl-5,5-dimethylhexan-3-amine
CID 63537566
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methylthiophen-2-yl)butan-2-amine
CID 63537269
1-(3-chlorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine
CID 62646460
1-[(4-chlorophenyl)methoxy]-1-(5-methylthiophen-2-yl)butan-2-amine
CID 65124391
1-(5-chlorothiophen-2-yl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-2-amine
CID 65039022
ethyl 2-(2,5-dichlorophenyl)sulfanylpentanoate
CID 83038841
N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 65316176
1-(2-chlorophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine
CID 63537236
6-(2,5-dichlorophenyl)sulfanylhexan-3-amine
CID 106808220
1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)butan-2-amine
CID 63537073

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)butan-2-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)butan-2-amine (CID 63536892) is 1-(2,5-dichlorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)butan-2-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)butan-2-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)butan-2-amine is CCC(N)C(Sc1cc(Cl)ccc1Cl)c1ccc(C)s1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)butan-2-amine?
The InChIKey is DEMQWRZKJOSXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NS2/c1-3-12(18)15(13-7-4-9(2)19-13)20-14-8-10(16)5-6-11(14)17/h4-8,12,15H,3,18H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)butan-2-amine?
1-(2,5-dichlorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)butan-2-amine has a molecular weight of 346.35 g/mol, XLogP of 5.93, 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-(5-methylthiophen-2-yl)butan-2-amine is sourced from PubChem (CID 63536892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).