2-amino-5-(2-bromophenyl)sulfanyl-2-methylpentan-1-ol

C12H18BrNOS — CID 64819483

IUPAC2-amino-5-(2-bromophenyl)sulfanyl-2-methylpentan-1-ol
SMILESCC(N)(CO)CCCSc1ccccc1Br
InChIInChI=1S/C12H18BrNOS/c1-12(14,9-15)7-4-8-16-11-6-3-2-5-10(11)13/h2-3,5-6,15H,4,7-9,14H2,1H3
InChIKeyVWFCRPPNBPFSCG-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.03
Rot. Bonds6

About 2-amino-5-(2-bromophenyl)sulfanyl-2-methylpentan-1-ol

2-amino-5-(2-bromophenyl)sulfanyl-2-methylpentan-1-ol (PubChem CID 64819483) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is 2-amino-5-(2-bromophenyl)sulfanyl-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-5-(2-bromophenyl)sulfanyl-2-methylpentan-1-ol
PubChem CID64819483
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name2-amino-5-(2-bromophenyl)sulfanyl-2-methylpentan-1-ol
SMILESCC(N)(CO)CCCSc1ccccc1Br
InChIInChI=1S/C12H18BrNOS/c1-12(14,9-15)7-4-8-16-11-6-3-2-5-10(11)13/h2-3,5-6,15H,4,7-9,14H2,1H3
InChIKeyVWFCRPPNBPFSCG-UHFFFAOYSA-N
XLogP3.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-5-(2-bromophenyl)sulfanyl-2-methylpentan-1-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

2-amino-2-methyl-6-(2-methylphenyl)sulfanylhexan-1-ol
CID 64807687
2-amino-6-(2-chlorophenyl)sulfanyl-2-methylhexan-1-ol
CID 64805546
5-(2-bromophenyl)sulfanyl-2-(ethylamino)-2-methylpentan-1-ol
CID 64819935
4-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol
CID 79176960
2-amino-6-(4-bromophenyl)sulfanyl-2-methylhexan-1-ol
CID 64818594
1-bromo-2-pentylsulfanylbenzene
CID 91658468
2-amino-2-methyl-5-(3-methylphenyl)sulfanylpentan-1-ol
CID 64806442
6-(2-bromophenyl)sulfanylhexan-3-amine
CID 106808159
4-(2-bromophenyl)sulfanyl-2-(methylamino)-2-phenylbutan-1-ol
CID 116695703
4-(2-bromophenyl)sulfanyl-N-methylbutan-1-amine
CID 62577188
N-(2-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide;hydrochloride
CID 119627225
2-amino-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpentan-1-ol
CID 64808173

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-bromophenyl)sulfanyl-2-methylpentan-1-ol?
The IUPAC name of 2-amino-5-(2-bromophenyl)sulfanyl-2-methylpentan-1-ol (CID 64819483) is 2-amino-5-(2-bromophenyl)sulfanyl-2-methylpentan-1-ol.
What is the SMILES notation for 2-amino-5-(2-bromophenyl)sulfanyl-2-methylpentan-1-ol?
The canonical SMILES for 2-amino-5-(2-bromophenyl)sulfanyl-2-methylpentan-1-ol is CC(N)(CO)CCCSc1ccccc1Br.
What is the InChIKey of 2-amino-5-(2-bromophenyl)sulfanyl-2-methylpentan-1-ol?
The InChIKey is VWFCRPPNBPFSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-12(14,9-15)7-4-8-16-11-6-3-2-5-10(11)13/h2-3,5-6,15H,4,7-9,14H2,1H3.
What are the key properties of 2-amino-5-(2-bromophenyl)sulfanyl-2-methylpentan-1-ol?
2-amino-5-(2-bromophenyl)sulfanyl-2-methylpentan-1-ol has a molecular weight of 304.25 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-bromophenyl)sulfanyl-2-methylpentan-1-ol is sourced from PubChem (CID 64819483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).