2-amino-N-(5-hydroxypentyl)-N,3,6-trimethylbenzenesulfonamide

C14H24N2O3S — CID 107197606

IUPAC2-amino-N-(5-hydroxypentyl)-N,3,6-trimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)CCCCCO)c1N
InChIInChI=1S/C14H24N2O3S/c1-11-7-8-12(2)14(13(11)15)20(18,19)16(3)9-5-4-6-10-17/h7-8,17H,4-6,9-10,15H2,1-3H3
InChIKeyHXIYGICEBZKJLS-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.67
Rot. Bonds7

About 2-amino-N-(5-hydroxypentyl)-N,3,6-trimethylbenzenesulfonamide

2-amino-N-(5-hydroxypentyl)-N,3,6-trimethylbenzenesulfonamide (PubChem CID 107197606) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-amino-N-(5-hydroxypentyl)-N,3,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(5-hydroxypentyl)-N,3,6-trimethylbenzenesulfonamide
PubChem CID107197606
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name2-amino-N-(5-hydroxypentyl)-N,3,6-trimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)CCCCCO)c1N
InChIInChI=1S/C14H24N2O3S/c1-11-7-8-12(2)14(13(11)15)20(18,19)16(3)9-5-4-6-10-17/h7-8,17H,4-6,9-10,15H2,1-3H3
InChIKeyHXIYGICEBZKJLS-UHFFFAOYSA-N
XLogP1.67
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.67
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

2-amino-N-[3-(dimethylamino)propyl]-N,3,6-trimethylbenzenesulfonamide
CID 103171508
3-amino-4-fluoro-N-(5-hydroxypentyl)-N,2,6-trimethylbenzenesulfonamide
CID 107326329
3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide
CID 107197609
2-amino-N-(3-hydroxypropyl)-N,6-dimethylbenzenesulfonamide
CID 114230029
2-amino-N,3,6-trimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 103171665
5-(aminomethyl)-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107198947
3-amino-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107197542
ethyl 2-[(2-amino-3,6-dimethylphenyl)sulfonyl-methylamino]acetate
CID 103171371
5-amino-4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107197641
2-amino-4,6-dibromo-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107197612
4-(aminomethyl)-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107198936
3-amino-N-[2-(dimethylamino)ethyl]-N,2,6-trimethylbenzenesulfonamide
CID 63693737

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-hydroxypentyl)-N,3,6-trimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(5-hydroxypentyl)-N,3,6-trimethylbenzenesulfonamide (CID 107197606) is 2-amino-N-(5-hydroxypentyl)-N,3,6-trimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(5-hydroxypentyl)-N,3,6-trimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(5-hydroxypentyl)-N,3,6-trimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N(C)CCCCCO)c1N.
What is the InChIKey of 2-amino-N-(5-hydroxypentyl)-N,3,6-trimethylbenzenesulfonamide?
The InChIKey is HXIYGICEBZKJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-11-7-8-12(2)14(13(11)15)20(18,19)16(3)9-5-4-6-10-17/h7-8,17H,4-6,9-10,15H2,1-3H3.
What are the key properties of 2-amino-N-(5-hydroxypentyl)-N,3,6-trimethylbenzenesulfonamide?
2-amino-N-(5-hydroxypentyl)-N,3,6-trimethylbenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-hydroxypentyl)-N,3,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 107197606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).