2-amino-6-(2-chlorophenyl)sulfanyl-2-methylhexan-1-ol

C13H20ClNOS — CID 64805546

IUPAC2-amino-6-(2-chlorophenyl)sulfanyl-2-methylhexan-1-ol
SMILESCC(N)(CO)CCCCSc1ccccc1Cl
InChIInChI=1S/C13H20ClNOS/c1-13(15,10-16)8-4-5-9-17-12-7-3-2-6-11(12)14/h2-3,6-7,16H,4-5,8-10,15H2,1H3
InChIKeyRQVLLOGKSNFANG-UHFFFAOYSA-N
MW273.83 g/mol
LogP3.31
Rot. Bonds7

About 2-amino-6-(2-chlorophenyl)sulfanyl-2-methylhexan-1-ol

2-amino-6-(2-chlorophenyl)sulfanyl-2-methylhexan-1-ol (PubChem CID 64805546) has the molecular formula C13H20ClNOS and a molecular weight of 273.83 g/mol. Its IUPAC name is 2-amino-6-(2-chlorophenyl)sulfanyl-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-amino-6-(2-chlorophenyl)sulfanyl-2-methylhexan-1-ol
PubChem CID64805546
Molecular FormulaC13H20ClNOS
Molecular Weight273.83 g/mol
Exact Mass273.10
IUPAC Name2-amino-6-(2-chlorophenyl)sulfanyl-2-methylhexan-1-ol
SMILESCC(N)(CO)CCCCSc1ccccc1Cl
InChIInChI=1S/C13H20ClNOS/c1-13(15,10-16)8-4-5-9-17-12-7-3-2-6-11(12)14/h2-3,6-7,16H,4-5,8-10,15H2,1H3
InChIKeyRQVLLOGKSNFANG-UHFFFAOYSA-N
XLogP3.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-methyl-6-(2-methylphenyl)sulfanylhexan-1-ol
CID 64807687
2-amino-5-(2-bromophenyl)sulfanyl-2-methylpentan-1-ol
CID 64819483
6-(2-chlorophenyl)sulfanylhexan-1-ol
CID 103736267
5-(2-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64807414
2-amino-6-(4-bromophenyl)sulfanyl-2-methylhexan-1-ol
CID 64818594
5-(2-chlorophenyl)sulfanyl-2-ethyl-2-(propylamino)pentan-1-ol
CID 106810893
4-(2-chlorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062349
5-(2-chlorophenyl)sulfanylpentanoyl chloride
CID 117058638
2-amino-2-methyl-5-(3-methylphenyl)sulfanylpentan-1-ol
CID 64806442
4-(2-chlorophenyl)sulfanylbutanoyl chloride
CID 82041889
tert-butyl-[3-(2-chlorophenyl)sulfanylpropoxy]-dimethylsilane
CID 141310434
2-amino-2-methyl-6-phenoxyhexan-1-ol
CID 64803768

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-chlorophenyl)sulfanyl-2-methylhexan-1-ol?
The IUPAC name of 2-amino-6-(2-chlorophenyl)sulfanyl-2-methylhexan-1-ol (CID 64805546) is 2-amino-6-(2-chlorophenyl)sulfanyl-2-methylhexan-1-ol.
What is the SMILES notation for 2-amino-6-(2-chlorophenyl)sulfanyl-2-methylhexan-1-ol?
The canonical SMILES for 2-amino-6-(2-chlorophenyl)sulfanyl-2-methylhexan-1-ol is CC(N)(CO)CCCCSc1ccccc1Cl.
What is the InChIKey of 2-amino-6-(2-chlorophenyl)sulfanyl-2-methylhexan-1-ol?
The InChIKey is RQVLLOGKSNFANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNOS/c1-13(15,10-16)8-4-5-9-17-12-7-3-2-6-11(12)14/h2-3,6-7,16H,4-5,8-10,15H2,1H3.
What are the key properties of 2-amino-6-(2-chlorophenyl)sulfanyl-2-methylhexan-1-ol?
2-amino-6-(2-chlorophenyl)sulfanyl-2-methylhexan-1-ol has a molecular weight of 273.83 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-chlorophenyl)sulfanyl-2-methylhexan-1-ol is sourced from PubChem (CID 64805546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).