(3R,4S)-1-acetyl-3-[[benzyl(methyl)sulfamoyl]amino]-4-propylpyrrolidine

C17H27N3O3S — CID 72928174

IUPAC(3R,4S)-1-acetyl-3-[[benzyl(methyl)sulfamoyl]amino]-4-propylpyrrolidine
SMILESCCC[C@H]1CN(C(C)=O)C[C@@H]1NS(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C17H27N3O3S/c1-4-8-16-12-20(14(2)21)13-17(16)18-24(22,23)19(3)11-15-9-6-5-7-10-15/h5-7,9-10,16-18H,4,8,11-13H2,1-3H3/t16-,17-/m0/s1
InChIKeyDQOSRTJWJZGLCK-IRXDYDNUSA-N
MW353.49 g/mol
LogP1.60
Rot. Bonds7

About (3R,4S)-1-acetyl-3-[[benzyl(methyl)sulfamoyl]amino]-4-propylpyrrolidine

(3R,4S)-1-acetyl-3-[[benzyl(methyl)sulfamoyl]amino]-4-propylpyrrolidine (PubChem CID 72928174) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is (3R,4S)-1-acetyl-3-[[benzyl(methyl)sulfamoyl]amino]-4-propylpyrrolidine.

Molecular Properties

Compound Name(3R,4S)-1-acetyl-3-[[benzyl(methyl)sulfamoyl]amino]-4-propylpyrrolidine
PubChem CID72928174
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name(3R,4S)-1-acetyl-3-[[benzyl(methyl)sulfamoyl]amino]-4-propylpyrrolidine
SMILESCCC[C@H]1CN(C(C)=O)C[C@@H]1NS(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C17H27N3O3S/c1-4-8-16-12-20(14(2)21)13-17(16)18-24(22,23)19(3)11-15-9-6-5-7-10-15/h5-7,9-10,16-18H,4,8,11-13H2,1-3H3/t16-,17-/m0/s1
InChIKeyDQOSRTJWJZGLCK-IRXDYDNUSA-N
XLogP1.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]methylbenzene
CID 103835998
[(2-aminocyclopentyl)sulfamoyl-methylamino]methylbenzene
CID 55167989
[(2-aminocyclohexyl)sulfamoyl-methylamino]methylbenzene
CID 61037886
[methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene
CID 79118112
[(2-ethyl-2-hydroxybutyl)sulfamoyl-methylamino]methylbenzene
CID 65112961
N-[(3S,4R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-4-propylpyrrolidin-3-yl]acetamide
CID 72938382
N-[(3S,4R)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 133132819
[1-aminopentan-2-ylsulfamoyl(methyl)amino]methylbenzene
CID 65193127
(3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-methoxyethyl)-4-propylpyrrolidine
CID 72882692
N-[(3S,4R)-1-[3-(benzimidazol-1-yl)propanoyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 70718778
N-[(3R,4S)-1-[3-(4-fluorophenyl)propanoyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 72861405
(3R,4S)-1-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoylamino)-4-propylpyrrolidine
CID 72904449

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-acetyl-3-[[benzyl(methyl)sulfamoyl]amino]-4-propylpyrrolidine?
The IUPAC name of (3R,4S)-1-acetyl-3-[[benzyl(methyl)sulfamoyl]amino]-4-propylpyrrolidine (CID 72928174) is (3R,4S)-1-acetyl-3-[[benzyl(methyl)sulfamoyl]amino]-4-propylpyrrolidine.
What is the SMILES notation for (3R,4S)-1-acetyl-3-[[benzyl(methyl)sulfamoyl]amino]-4-propylpyrrolidine?
The canonical SMILES for (3R,4S)-1-acetyl-3-[[benzyl(methyl)sulfamoyl]amino]-4-propylpyrrolidine is CCC[C@H]1CN(C(C)=O)C[C@@H]1NS(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of (3R,4S)-1-acetyl-3-[[benzyl(methyl)sulfamoyl]amino]-4-propylpyrrolidine?
The InChIKey is DQOSRTJWJZGLCK-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-4-8-16-12-20(14(2)21)13-17(16)18-24(22,23)19(3)11-15-9-6-5-7-10-15/h5-7,9-10,16-18H,4,8,11-13H2,1-3H3/t16-,17-/m0/s1.
What are the key properties of (3R,4S)-1-acetyl-3-[[benzyl(methyl)sulfamoyl]amino]-4-propylpyrrolidine?
(3R,4S)-1-acetyl-3-[[benzyl(methyl)sulfamoyl]amino]-4-propylpyrrolidine has a molecular weight of 353.49 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-acetyl-3-[[benzyl(methyl)sulfamoyl]amino]-4-propylpyrrolidine is sourced from PubChem (CID 72928174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).