(2S)-N-(4-hydroxyphenyl)-N,2-dimethylpyrrolidine-1-sulfonamide

C12H18N2O3S — CID 124627114

IUPAC(2S)-N-(4-hydroxyphenyl)-N,2-dimethylpyrrolidine-1-sulfonamide
SMILESC[C@H]1CCCN1S(=O)(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C12H18N2O3S/c1-10-4-3-9-14(10)18(16,17)13(2)11-5-7-12(15)8-6-11/h5-8,10,15H,3-4,9H2,1-2H3/t10-/m0/s1
InChIKeyOTGCZZHRZJQNPY-JTQLQIEISA-N
MW270.35 g/mol
LogP1.56
Rot. Bonds3

About (2S)-N-(4-hydroxyphenyl)-N,2-dimethylpyrrolidine-1-sulfonamide

(2S)-N-(4-hydroxyphenyl)-N,2-dimethylpyrrolidine-1-sulfonamide (PubChem CID 124627114) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is (2S)-N-(4-hydroxyphenyl)-N,2-dimethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N-(4-hydroxyphenyl)-N,2-dimethylpyrrolidine-1-sulfonamide
PubChem CID124627114
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name(2S)-N-(4-hydroxyphenyl)-N,2-dimethylpyrrolidine-1-sulfonamide
SMILESC[C@H]1CCCN1S(=O)(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C12H18N2O3S/c1-10-4-3-9-14(10)18(16,17)13(2)11-5-7-12(15)8-6-11/h5-8,10,15H,3-4,9H2,1-2H3/t10-/m0/s1
InChIKeyOTGCZZHRZJQNPY-JTQLQIEISA-N
XLogP1.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-hydroxyphenyl)-N,2-dimethylpyrrolidine-1-sulfonamide?
The IUPAC name of (2S)-N-(4-hydroxyphenyl)-N,2-dimethylpyrrolidine-1-sulfonamide (CID 124627114) is (2S)-N-(4-hydroxyphenyl)-N,2-dimethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (2S)-N-(4-hydroxyphenyl)-N,2-dimethylpyrrolidine-1-sulfonamide?
The canonical SMILES for (2S)-N-(4-hydroxyphenyl)-N,2-dimethylpyrrolidine-1-sulfonamide is C[C@H]1CCCN1S(=O)(=O)N(C)c1ccc(O)cc1.
What is the InChIKey of (2S)-N-(4-hydroxyphenyl)-N,2-dimethylpyrrolidine-1-sulfonamide?
The InChIKey is OTGCZZHRZJQNPY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-10-4-3-9-14(10)18(16,17)13(2)11-5-7-12(15)8-6-11/h5-8,10,15H,3-4,9H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-N-(4-hydroxyphenyl)-N,2-dimethylpyrrolidine-1-sulfonamide?
(2S)-N-(4-hydroxyphenyl)-N,2-dimethylpyrrolidine-1-sulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-hydroxyphenyl)-N,2-dimethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 124627114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).