[(3R,4R)-1-(3-chlorophenyl)sulfonyl-4-[[ethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol

C15H23ClN2O3S — CID 72941145

IUPAC[(3R,4R)-1-(3-chlorophenyl)sulfonyl-4-[[ethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol
SMILESCCN(C)C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2)C[C@@H]1CO
InChIInChI=1S/C15H23ClN2O3S/c1-3-17(2)8-12-9-18(10-13(12)11-19)22(20,21)15-6-4-5-14(16)7-15/h4-7,12-13,19H,3,8-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyFXVSCDJGGMVSHT-CHWSQXEVSA-N
MW346.88 g/mol
LogP1.52
Rot. Bonds6

About [(3R,4R)-1-(3-chlorophenyl)sulfonyl-4-[[ethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol

[(3R,4R)-1-(3-chlorophenyl)sulfonyl-4-[[ethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol (PubChem CID 72941145) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is [(3R,4R)-1-(3-chlorophenyl)sulfonyl-4-[[ethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-(3-chlorophenyl)sulfonyl-4-[[ethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol
PubChem CID72941145
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC Name[(3R,4R)-1-(3-chlorophenyl)sulfonyl-4-[[ethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol
SMILESCCN(C)C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2)C[C@@H]1CO
InChIInChI=1S/C15H23ClN2O3S/c1-3-17(2)8-12-9-18(10-13(12)11-19)22(20,21)15-6-4-5-14(16)7-15/h4-7,12-13,19H,3,8-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyFXVSCDJGGMVSHT-CHWSQXEVSA-N
XLogP1.52
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R,4R)-1-(3-chlorophenyl)sulfonyl-4-[[ethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol 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 [(3R,4R)-1-(3-chlorophenyl)sulfonyl-4-[[ethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-(3-chlorophenyl)sulfonyl-4-[[ethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol (CID 72941145) is [(3R,4R)-1-(3-chlorophenyl)sulfonyl-4-[[ethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-(3-chlorophenyl)sulfonyl-4-[[ethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-(3-chlorophenyl)sulfonyl-4-[[ethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol is CCN(C)C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2)C[C@@H]1CO.
What is the InChIKey of [(3R,4R)-1-(3-chlorophenyl)sulfonyl-4-[[ethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol?
The InChIKey is FXVSCDJGGMVSHT-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H23ClN2O3S/c1-3-17(2)8-12-9-18(10-13(12)11-19)22(20,21)15-6-4-5-14(16)7-15/h4-7,12-13,19H,3,8-11H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of [(3R,4R)-1-(3-chlorophenyl)sulfonyl-4-[[ethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol?
[(3R,4R)-1-(3-chlorophenyl)sulfonyl-4-[[ethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol has a molecular weight of 346.88 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-(3-chlorophenyl)sulfonyl-4-[[ethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 72941145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).