6-(2,5-dichlorophenyl)sulfinylhexan-2-amine

C12H17Cl2NOS — CID 64660268

IUPAC6-(2,5-dichlorophenyl)sulfinylhexan-2-amine
SMILESCC(N)CCCCS(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NOS/c1-9(15)4-2-3-7-17(16)12-8-10(13)5-6-11(12)14/h5-6,8-9H,2-4,7,15H2,1H3
InChIKeyWORJBYYZEVDIOI-UHFFFAOYSA-N
MW294.25 g/mol
LogP3.62
Rot. Bonds6

About 6-(2,5-dichlorophenyl)sulfinylhexan-2-amine

6-(2,5-dichlorophenyl)sulfinylhexan-2-amine (PubChem CID 64660268) has the molecular formula C12H17Cl2NOS and a molecular weight of 294.25 g/mol. Its IUPAC name is 6-(2,5-dichlorophenyl)sulfinylhexan-2-amine.

Molecular Properties

Compound Name6-(2,5-dichlorophenyl)sulfinylhexan-2-amine
PubChem CID64660268
Molecular FormulaC12H17Cl2NOS
Molecular Weight294.25 g/mol
Exact Mass293.04
IUPAC Name6-(2,5-dichlorophenyl)sulfinylhexan-2-amine
SMILESCC(N)CCCCS(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NOS/c1-9(15)4-2-3-7-17(16)12-8-10(13)5-6-11(12)14/h5-6,8-9H,2-4,7,15H2,1H3
InChIKeyWORJBYYZEVDIOI-UHFFFAOYSA-N
XLogP3.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(2,5-dichlorophenyl)sulfinylhexan-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

6-(4-chlorophenyl)sulfinylhexan-2-amine
CID 64659612
4-(2,5-dichlorophenyl)sulfinyl-N-methylbutan-2-amine
CID 64657739
N-[2-(2,5-dichlorophenyl)sulfinylethyl]propan-2-amine
CID 64657735
5-(2,4-difluorophenyl)sulfinylpentan-2-amine
CID 64652840
N-[2-(2,5-dichlorophenyl)sulfinylethyl]-N-methyl-1-phenylethanamine
CID 42962675
1-(2,5-dichlorophenyl)sulfinyl-N-ethylpropan-2-amine
CID 64660271
1-[1-[2-(2,5-dichlorophenyl)sulfinylethyl]pyrrolidin-3-yl]ethanol
CID 110019804
2-(2,5-dichlorophenyl)sulfinyl-1-(2-methylphenyl)ethanamine
CID 64659491
5-[(4-chlorophenyl)methylsulfinyl]pentan-2-amine
CID 114792170
(2S)-4-(2,5-dichlorophenyl)butan-2-amine
CID 95375914
5-(4-bromophenyl)sulfinylpentan-2-amine
CID 64653239
5-chloro-2-heptylsulfinylaniline
CID 81175948

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichlorophenyl)sulfinylhexan-2-amine?
The IUPAC name of 6-(2,5-dichlorophenyl)sulfinylhexan-2-amine (CID 64660268) is 6-(2,5-dichlorophenyl)sulfinylhexan-2-amine.
What is the SMILES notation for 6-(2,5-dichlorophenyl)sulfinylhexan-2-amine?
The canonical SMILES for 6-(2,5-dichlorophenyl)sulfinylhexan-2-amine is CC(N)CCCCS(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 6-(2,5-dichlorophenyl)sulfinylhexan-2-amine?
The InChIKey is WORJBYYZEVDIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NOS/c1-9(15)4-2-3-7-17(16)12-8-10(13)5-6-11(12)14/h5-6,8-9H,2-4,7,15H2,1H3.
What are the key properties of 6-(2,5-dichlorophenyl)sulfinylhexan-2-amine?
6-(2,5-dichlorophenyl)sulfinylhexan-2-amine has a molecular weight of 294.25 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dichlorophenyl)sulfinylhexan-2-amine is sourced from PubChem (CID 64660268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).