[(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanol

C16H26N2O4S — CID 72934969

IUPAC[(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanol
SMILESCCN(C)C[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2)C[C@@H]1CO
InChIInChI=1S/C16H26N2O4S/c1-4-17(2)9-13-10-18(11-14(13)12-19)23(20,21)16-7-5-15(22-3)6-8-16/h5-8,13-14,19H,4,9-12H2,1-3H3/t13-,14-/m1/s1
InChIKeyIBWQXGNYQGUOHA-ZIAGYGMSSA-N
MW342.46 g/mol
LogP0.88
Rot. Bonds7

About [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanol

[(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanol (PubChem CID 72934969) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanol
PubChem CID72934969
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name[(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanol
SMILESCCN(C)C[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2)C[C@@H]1CO
InChIInChI=1S/C16H26N2O4S/c1-4-17(2)9-13-10-18(11-14(13)12-19)23(20,21)16-7-5-15(22-3)6-8-16/h5-8,13-14,19H,4,9-12H2,1-3H3/t13-,14-/m1/s1
InChIKeyIBWQXGNYQGUOHA-ZIAGYGMSSA-N
XLogP0.88
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-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

Related Compounds

1-[(4-Methoxyphenyl)sulfonyl]-4-(pyrrolidin-1-yl)piperidine
CID 1121648
1-[(4-Ethoxyphenyl)sulfonyl]pyrrolidine
CID 893819
1,5-Bis[(4-methoxyphenyl)sulfonyl]-9-(3-methylbutyl)-3-methylidene-1,5,9-triazacyclododecane
CID 11628580
4-(3-Pyrrolidin-1-ylpropoxy)benzenesulfonamide
CID 60145489
4-(4-Pyrrolidin-1-ylbutoxy)benzenesulfonamide
CID 60145492
(3S*,4R*)-4-isopropyl-1-[(3-methoxyphenyl)sulfonyl]-N,N-dimethyl-3-pyrrolidinamine
CID 72875035
5-Fluoro-2-methoxy-N-[(oxolan-3-YL)methyl]-N-propylbenzene-1-sulfonamide
CID 91915442
(S)-1-[1-(p-trifluoromethoxyphenylsulfonyl)-4-piperidyl]-3-pyrrolidinol
CID 97415200
(5aS,8aS)-7-(4-methoxyphenyl)sulfonyl-4-methyl-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine
CID 97420156
(3R,4R)-4-(Dimethylamino)-1-(3-methoxybenzenesulfonyl)pyrrolidin-3-OL
CID 110108036
3-[(Dimethylamino)methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 118740327
3-[(Dimethylamino)methyl]-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 118741485

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanol (CID 72934969) is [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanol is CCN(C)C[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2)C[C@@H]1CO.
What is the InChIKey of [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanol?
The InChIKey is IBWQXGNYQGUOHA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-4-17(2)9-13-10-18(11-14(13)12-19)23(20,21)16-7-5-15(22-3)6-8-16/h5-8,13-14,19H,4,9-12H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanol?
[(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanol has a molecular weight of 342.46 g/mol, XLogP of 0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 72934969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).