N-[(3S,4R)-1-[[4-(methylsulfamoyl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide

C17H27N3O3S — CID 133122299

IUPACN-[(3S,4R)-1-[[4-(methylsulfamoyl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(Cc2ccc(S(=O)(=O)NC)cc2)C[C@H]1NC(C)=O
InChIInChI=1S/C17H27N3O3S/c1-4-5-15-11-20(12-17(15)19-13(2)21)10-14-6-8-16(9-7-14)24(22,23)18-3/h6-9,15,17-18H,4-5,10-12H2,1-3H3,(H,19,21)/t15-,17-/m1/s1
InChIKeyRRMBXSUYJGXBJT-NVXWUHKLSA-N
MW353.49 g/mol
LogP1.33
Rot. Bonds7

About N-[(3S,4R)-1-[[4-(methylsulfamoyl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-[[4-(methylsulfamoyl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide (PubChem CID 133122299) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[(3S,4R)-1-[[4-(methylsulfamoyl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[[4-(methylsulfamoyl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide
PubChem CID133122299
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-[(3S,4R)-1-[[4-(methylsulfamoyl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(Cc2ccc(S(=O)(=O)NC)cc2)C[C@H]1NC(C)=O
InChIInChI=1S/C17H27N3O3S/c1-4-5-15-11-20(12-17(15)19-13(2)21)10-14-6-8-16(9-7-14)24(22,23)18-3/h6-9,15,17-18H,4-5,10-12H2,1-3H3,(H,19,21)/t15-,17-/m1/s1
InChIKeyRRMBXSUYJGXBJT-NVXWUHKLSA-N
XLogP1.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4R)-1-[(5-acetylthiophen-3-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide
CID 70746062
N-[[(3R)-1-[[4-(methylsulfamoyl)phenyl]methyl]piperidin-3-yl]methyl]acetamide
CID 95219246
N-[(3S,4R)-1-[2-(3-chloro-4-fluorophenyl)acetyl]-4-propylpyrrolidin-3-yl]acetamide
CID 70736517
N-[(3S,4R)-1-benzyl-4-propylpyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide
CID 133120470
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 167765653
(3aS,6aS)-2-(2-hydroxyethyl)-5-[[4-(methylsulfamoyl)phenyl]methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72872835
(3R,4S)-1-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoylamino)-4-propylpyrrolidine
CID 72904449
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-propyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 154897661
(3R,4S)-1-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoylamino)-4-propylpyrrolidine;hydrochloride
CID 154899077
2-methylsulfanyl-N-[(3S,4R)-4-propyl-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide
CID 133130373
N-[(3S,4R)-1-[(5-acetylthiophen-3-yl)methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 70742263
2-[(3R,4S)-3-acetamido-4-propylpyrrolidin-1-yl]-N-cycloheptylacetamide
CID 72911123

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[[4-(methylsulfamoyl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-[[4-(methylsulfamoyl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide (CID 133122299) is N-[(3S,4R)-1-[[4-(methylsulfamoyl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-[[4-(methylsulfamoyl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-[[4-(methylsulfamoyl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide is CCC[C@@H]1CN(Cc2ccc(S(=O)(=O)NC)cc2)C[C@H]1NC(C)=O.
What is the InChIKey of N-[(3S,4R)-1-[[4-(methylsulfamoyl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide?
The InChIKey is RRMBXSUYJGXBJT-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-4-5-15-11-20(12-17(15)19-13(2)21)10-14-6-8-16(9-7-14)24(22,23)18-3/h6-9,15,17-18H,4-5,10-12H2,1-3H3,(H,19,21)/t15-,17-/m1/s1.
What are the key properties of N-[(3S,4R)-1-[[4-(methylsulfamoyl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-[[4-(methylsulfamoyl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide has a molecular weight of 353.49 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[[4-(methylsulfamoyl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 133122299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).