2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dimethylbenzenesulfonamide

C12H19NO3S2 — CID 66104210

IUPAC2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dimethylbenzenesulfonamide
SMILESCC(CO)CSc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C12H19NO3S2/c1-10(8-14)9-17-11-6-4-5-7-12(11)18(15,16)13(2)3/h4-7,10,14H,8-9H2,1-3H3
InChIKeyKKNQZKFKEXYVDV-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.66
Rot. Bonds6

About 2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dimethylbenzenesulfonamide

2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dimethylbenzenesulfonamide (PubChem CID 66104210) has the molecular formula C12H19NO3S2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dimethylbenzenesulfonamide
PubChem CID66104210
Molecular FormulaC12H19NO3S2
Molecular Weight289.42 g/mol
Exact Mass289.08
IUPAC Name2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dimethylbenzenesulfonamide
SMILESCC(CO)CSc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C12H19NO3S2/c1-10(8-14)9-17-11-6-4-5-7-12(11)18(15,16)13(2)3/h4-7,10,14H,8-9H2,1-3H3
InChIKeyKKNQZKFKEXYVDV-UHFFFAOYSA-N
XLogP1.66
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dimethylbenzenesulfonamide (CID 66104210) is 2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dimethylbenzenesulfonamide is CC(CO)CSc1ccccc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dimethylbenzenesulfonamide?
The InChIKey is KKNQZKFKEXYVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S2/c1-10(8-14)9-17-11-6-4-5-7-12(11)18(15,16)13(2)3/h4-7,10,14H,8-9H2,1-3H3.
What are the key properties of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dimethylbenzenesulfonamide?
2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dimethylbenzenesulfonamide has a molecular weight of 289.42 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 66104210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).