(3R)-3-[[(3-methoxyphenyl)methyl-methylsulfamoyl]amino]pyrrolidine

C13H21N3O3S — CID 79685210

IUPAC(3R)-3-[[(3-methoxyphenyl)methyl-methylsulfamoyl]amino]pyrrolidine
SMILESCOc1cccc(CN(C)S(=O)(=O)N[C@@H]2CCNC2)c1
InChIInChI=1S/C13H21N3O3S/c1-16(10-11-4-3-5-13(8-11)19-2)20(17,18)15-12-6-7-14-9-12/h3-5,8,12,14-15H,6-7,9-10H2,1-2H3/t12-/m1/s1
InChIKeyQMNSLYGNSTUQND-GFCCVEGCSA-N
MW299.40 g/mol
LogP0.32
Rot. Bonds6

About (3R)-3-[[(3-methoxyphenyl)methyl-methylsulfamoyl]amino]pyrrolidine

(3R)-3-[[(3-methoxyphenyl)methyl-methylsulfamoyl]amino]pyrrolidine (PubChem CID 79685210) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is (3R)-3-[[(3-methoxyphenyl)methyl-methylsulfamoyl]amino]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-[[(3-methoxyphenyl)methyl-methylsulfamoyl]amino]pyrrolidine
PubChem CID79685210
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name(3R)-3-[[(3-methoxyphenyl)methyl-methylsulfamoyl]amino]pyrrolidine
SMILESCOc1cccc(CN(C)S(=O)(=O)N[C@@H]2CCNC2)c1
InChIInChI=1S/C13H21N3O3S/c1-16(10-11-4-3-5-13(8-11)19-2)20(17,18)15-12-6-7-14-9-12/h3-5,8,12,14-15H,6-7,9-10H2,1-2H3/t12-/m1/s1
InChIKeyQMNSLYGNSTUQND-GFCCVEGCSA-N
XLogP0.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl-methylsulfamoyl]-N-methylazetidin-3-amine
CID 66188280
1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide
CID 119978714
(3-methoxyphenyl)methyl-methylsulfamic acid
CID 112705076
1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
CID 119978713
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylazetidine-1-sulfonamide
CID 65245123
1-[[2-ethylbutylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene
CID 115613403
1-cyano-3-[[cyclopropylsulfamoyl(methyl)amino]methyl]benzene
CID 113424588
1-[(3-methoxyphenyl)methyl-methylsulfamoyl]pyrrolidine-2-carboxylic acid
CID 71941905
3-[[benzyl(ethyl)sulfamoyl]amino]pyrrolidine;hydrochloride
CID 119967112
1-[[[(2R)-1-hydroxypropan-2-yl]sulfamoyl-methylamino]methyl]-3-methoxybenzene
CID 79027963
2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686260
1-[[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]methyl]-3-methoxybenzene
CID 104858736

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(3-methoxyphenyl)methyl-methylsulfamoyl]amino]pyrrolidine?
The IUPAC name of (3R)-3-[[(3-methoxyphenyl)methyl-methylsulfamoyl]amino]pyrrolidine (CID 79685210) is (3R)-3-[[(3-methoxyphenyl)methyl-methylsulfamoyl]amino]pyrrolidine.
What is the SMILES notation for (3R)-3-[[(3-methoxyphenyl)methyl-methylsulfamoyl]amino]pyrrolidine?
The canonical SMILES for (3R)-3-[[(3-methoxyphenyl)methyl-methylsulfamoyl]amino]pyrrolidine is COc1cccc(CN(C)S(=O)(=O)N[C@@H]2CCNC2)c1.
What is the InChIKey of (3R)-3-[[(3-methoxyphenyl)methyl-methylsulfamoyl]amino]pyrrolidine?
The InChIKey is QMNSLYGNSTUQND-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-16(10-11-4-3-5-13(8-11)19-2)20(17,18)15-12-6-7-14-9-12/h3-5,8,12,14-15H,6-7,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-3-[[(3-methoxyphenyl)methyl-methylsulfamoyl]amino]pyrrolidine?
(3R)-3-[[(3-methoxyphenyl)methyl-methylsulfamoyl]amino]pyrrolidine has a molecular weight of 299.40 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(3-methoxyphenyl)methyl-methylsulfamoyl]amino]pyrrolidine is sourced from PubChem (CID 79685210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).