6-(4-amino-2-methylphenyl)sulfonylhexan-1-ol

C13H21NO3S — CID 107707400

IUPAC6-(4-amino-2-methylphenyl)sulfonylhexan-1-ol
SMILESCc1cc(N)ccc1S(=O)(=O)CCCCCCO
InChIInChI=1S/C13H21NO3S/c1-11-10-12(14)6-7-13(11)18(16,17)9-5-3-2-4-8-15/h6-7,10,15H,2-5,8-9,14H2,1H3
InChIKeyOECFHIKVMGDGJH-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.90
Rot. Bonds7

About 6-(4-amino-2-methylphenyl)sulfonylhexan-1-ol

6-(4-amino-2-methylphenyl)sulfonylhexan-1-ol (PubChem CID 107707400) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 6-(4-amino-2-methylphenyl)sulfonylhexan-1-ol.

Molecular Properties

Compound Name6-(4-amino-2-methylphenyl)sulfonylhexan-1-ol
PubChem CID107707400
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name6-(4-amino-2-methylphenyl)sulfonylhexan-1-ol
SMILESCc1cc(N)ccc1S(=O)(=O)CCCCCCO
InChIInChI=1S/C13H21NO3S/c1-11-10-12(14)6-7-13(11)18(16,17)9-5-3-2-4-8-15/h6-7,10,15H,2-5,8-9,14H2,1H3
InChIKeyOECFHIKVMGDGJH-UHFFFAOYSA-N
XLogP1.90
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-(2-methylsulfonylethylsulfonyl)aniline
CID 81191903
4-(4-amino-2-methylphenyl)sulfonyl-N-methylbutanamide
CID 81192660
5-(2,5-dimethylphenyl)sulfonylpentan-1-ol
CID 111104889
3-methyl-4-[3-(2,2,2-trifluoroethoxy)propylsulfonyl]aniline
CID 81192362
4-(2-ethoxyethylsulfonyl)-3-methylaniline
CID 81192495
4-(2-butoxyethylsulfonyl)-3-methylaniline
CID 81192649
3-(2,4,5-trimethylphenyl)sulfonylpropan-1-ol
CID 116853215
5-(6-hydroxyhexylsulfonyl)-2,4-dimethylbenzoic acid
CID 107704289
3-methyl-4-[3-(oxolan-2-yl)propylsulfonyl]aniline
CID 81192653
5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843500
4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide
CID 43258909
3-fluoro-4-hexylsulfonylaniline
CID 81191687

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-2-methylphenyl)sulfonylhexan-1-ol?
The IUPAC name of 6-(4-amino-2-methylphenyl)sulfonylhexan-1-ol (CID 107707400) is 6-(4-amino-2-methylphenyl)sulfonylhexan-1-ol.
What is the SMILES notation for 6-(4-amino-2-methylphenyl)sulfonylhexan-1-ol?
The canonical SMILES for 6-(4-amino-2-methylphenyl)sulfonylhexan-1-ol is Cc1cc(N)ccc1S(=O)(=O)CCCCCCO.
What is the InChIKey of 6-(4-amino-2-methylphenyl)sulfonylhexan-1-ol?
The InChIKey is OECFHIKVMGDGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-11-10-12(14)6-7-13(11)18(16,17)9-5-3-2-4-8-15/h6-7,10,15H,2-5,8-9,14H2,1H3.
What are the key properties of 6-(4-amino-2-methylphenyl)sulfonylhexan-1-ol?
6-(4-amino-2-methylphenyl)sulfonylhexan-1-ol has a molecular weight of 271.38 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-2-methylphenyl)sulfonylhexan-1-ol is sourced from PubChem (CID 107707400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).