1-amino-5-(4-chlorophenyl)sulfanyl-2-methylpentan-2-ol

C12H18ClNOS — CID 64813219

IUPAC1-amino-5-(4-chlorophenyl)sulfanyl-2-methylpentan-2-ol
SMILESCC(O)(CN)CCCSc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNOS/c1-12(15,9-14)7-2-8-16-11-5-3-10(13)4-6-11/h3-6,15H,2,7-9,14H2,1H3
InChIKeyDDMLPRQONLEZHO-UHFFFAOYSA-N
MW259.80 g/mol
LogP2.92
Rot. Bonds6

About 1-amino-5-(4-chlorophenyl)sulfanyl-2-methylpentan-2-ol

1-amino-5-(4-chlorophenyl)sulfanyl-2-methylpentan-2-ol (PubChem CID 64813219) has the molecular formula C12H18ClNOS and a molecular weight of 259.80 g/mol. Its IUPAC name is 1-amino-5-(4-chlorophenyl)sulfanyl-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-amino-5-(4-chlorophenyl)sulfanyl-2-methylpentan-2-ol
PubChem CID64813219
Molecular FormulaC12H18ClNOS
Molecular Weight259.80 g/mol
Exact Mass259.08
IUPAC Name1-amino-5-(4-chlorophenyl)sulfanyl-2-methylpentan-2-ol
SMILESCC(O)(CN)CCCSc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNOS/c1-12(15,9-14)7-2-8-16-11-5-3-10(13)4-6-11/h3-6,15H,2,7-9,14H2,1H3
InChIKeyDDMLPRQONLEZHO-UHFFFAOYSA-N
XLogP2.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.80
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-amino-5-(4-chlorophenyl)sulfanyl-2-methylpentan-2-ol 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-amino-5-(4-fluorophenyl)sulfanyl-2-methylpentan-2-ol
CID 64814874
3-(4-chlorophenyl)sulfanylpropan-1-amine;hydrochloride
CID 13018772
1-chloro-4-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]benzene
CID 12836424
3-(aminomethyl)-6-(4-tert-butylphenyl)sulfanylhexan-3-ol
CID 106811630
N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 119522821
5-(4-fluorophenyl)sulfanyl-2,2-dimethylpentan-1-amine
CID 65256079
4-(4-chlorophenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]butanamide
CID 82726194
4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylbutyl)butanamide
CID 65109878
5-(4-chlorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64821527
1-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-2-ol
CID 64812783
N'-[2-(4-chlorophenyl)sulfanylethyl]ethane-1,2-diamine
CID 2299864
4-(4-chlorophenyl)sulfanyl-4-methylpentan-1-amine
CID 170878278

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-(4-chlorophenyl)sulfanyl-2-methylpentan-2-ol?
The IUPAC name of 1-amino-5-(4-chlorophenyl)sulfanyl-2-methylpentan-2-ol (CID 64813219) is 1-amino-5-(4-chlorophenyl)sulfanyl-2-methylpentan-2-ol.
What is the SMILES notation for 1-amino-5-(4-chlorophenyl)sulfanyl-2-methylpentan-2-ol?
The canonical SMILES for 1-amino-5-(4-chlorophenyl)sulfanyl-2-methylpentan-2-ol is CC(O)(CN)CCCSc1ccc(Cl)cc1.
What is the InChIKey of 1-amino-5-(4-chlorophenyl)sulfanyl-2-methylpentan-2-ol?
The InChIKey is DDMLPRQONLEZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNOS/c1-12(15,9-14)7-2-8-16-11-5-3-10(13)4-6-11/h3-6,15H,2,7-9,14H2,1H3.
What are the key properties of 1-amino-5-(4-chlorophenyl)sulfanyl-2-methylpentan-2-ol?
1-amino-5-(4-chlorophenyl)sulfanyl-2-methylpentan-2-ol has a molecular weight of 259.80 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-(4-chlorophenyl)sulfanyl-2-methylpentan-2-ol is sourced from PubChem (CID 64813219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).