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

C11H18N2O3S — CID 62335547

IUPAC2-amino-N-(2-hydroxypropyl)-N,6-dimethylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)N(C)CC(C)O
InChIInChI=1S/C11H18N2O3S/c1-8-5-4-6-10(12)11(8)17(15,16)13(3)7-9(2)14/h4-6,9,14H,7,12H2,1-3H3
InChIKeyVYVSOZARLSRCBB-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.58
Rot. Bonds4

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

2-amino-N-(2-hydroxypropyl)-N,6-dimethylbenzenesulfonamide (PubChem CID 62335547) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxypropyl)-N,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxypropyl)-N,6-dimethylbenzenesulfonamide
PubChem CID62335547
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-amino-N-(2-hydroxypropyl)-N,6-dimethylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)N(C)CC(C)O
InChIInChI=1S/C11H18N2O3S/c1-8-5-4-6-10(12)11(8)17(15,16)13(3)7-9(2)14/h4-6,9,14H,7,12H2,1-3H3
InChIKeyVYVSOZARLSRCBB-UHFFFAOYSA-N
XLogP0.58
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxypropyl)-N,6-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(2-hydroxypropyl)-N,6-dimethylbenzenesulfonamide (CID 62335547) is 2-amino-N-(2-hydroxypropyl)-N,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-hydroxypropyl)-N,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-hydroxypropyl)-N,6-dimethylbenzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)N(C)CC(C)O.
What is the InChIKey of 2-amino-N-(2-hydroxypropyl)-N,6-dimethylbenzenesulfonamide?
The InChIKey is VYVSOZARLSRCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-8-5-4-6-10(12)11(8)17(15,16)13(3)7-9(2)14/h4-6,9,14H,7,12H2,1-3H3.
What are the key properties of 2-amino-N-(2-hydroxypropyl)-N,6-dimethylbenzenesulfonamide?
2-amino-N-(2-hydroxypropyl)-N,6-dimethylbenzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxypropyl)-N,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 62335547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).