2-amino-N-(3-hydroxypropyl)-N,6-dimethylbenzenesulfonamide

C11H18N2O3S — CID 114230029

IUPAC2-amino-N-(3-hydroxypropyl)-N,6-dimethylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)N(C)CCCO
InChIInChI=1S/C11H18N2O3S/c1-9-5-3-6-10(12)11(9)17(15,16)13(2)7-4-8-14/h3,5-6,14H,4,7-8,12H2,1-2H3
InChIKeyGHVHBAUZFJSNSD-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.58
Rot. Bonds5

About 2-amino-N-(3-hydroxypropyl)-N,6-dimethylbenzenesulfonamide

2-amino-N-(3-hydroxypropyl)-N,6-dimethylbenzenesulfonamide (PubChem CID 114230029) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-amino-N-(3-hydroxypropyl)-N,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-hydroxypropyl)-N,6-dimethylbenzenesulfonamide
PubChem CID114230029
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-amino-N-(3-hydroxypropyl)-N,6-dimethylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)N(C)CCCO
InChIInChI=1S/C11H18N2O3S/c1-9-5-3-6-10(12)11(9)17(15,16)13(2)7-4-8-14/h3,5-6,14H,4,7-8,12H2,1-2H3
InChIKeyGHVHBAUZFJSNSD-UHFFFAOYSA-N
XLogP0.58
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-hydroxypropyl)-N,6-dimethylbenzenesulfonamide
CID 62335547
2-amino-N-(5-hydroxypentyl)-N,3,6-trimethylbenzenesulfonamide
CID 107197606
3-amino-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107197542
2-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylbenzenesulfonamide
CID 61106488
2-amino-N,6-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 62002027
2-amino-N-(6-hydroxyhexyl)-6-methylbenzenesulfonamide
CID 107843459
2-amino-3-fluoro-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide
CID 114230052
2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,6-dimethylbenzenesulfonamide
CID 114947189
2-amino-N,N-bis(2-methoxyethyl)-6-methylbenzenesulfonamide
CID 43587441
2-amino-6-methyl-N-propan-2-yl-N-propylbenzenesulfonamide
CID 43383281
6-amino-N-butyl-N,2,3-trimethylbenzenesulfonamide
CID 43258017
2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-methylbenzenesulfonamide
CID 79382041

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-hydroxypropyl)-N,6-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(3-hydroxypropyl)-N,6-dimethylbenzenesulfonamide (CID 114230029) is 2-amino-N-(3-hydroxypropyl)-N,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(3-hydroxypropyl)-N,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(3-hydroxypropyl)-N,6-dimethylbenzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)N(C)CCCO.
What is the InChIKey of 2-amino-N-(3-hydroxypropyl)-N,6-dimethylbenzenesulfonamide?
The InChIKey is GHVHBAUZFJSNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-9-5-3-6-10(12)11(9)17(15,16)13(2)7-4-8-14/h3,5-6,14H,4,7-8,12H2,1-2H3.
What are the key properties of 2-amino-N-(3-hydroxypropyl)-N,6-dimethylbenzenesulfonamide?
2-amino-N-(3-hydroxypropyl)-N,6-dimethylbenzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-hydroxypropyl)-N,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 114230029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).