2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-N,N-dimethylethanesulfonamide

C15H25N3O2S — CID 95197428

IUPAC2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCN[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C15H25N3O2S/c1-17(2)21(19,20)11-9-16-15-8-10-18(13-15)12-14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3/t15-/m1/s1
InChIKeyRGDCSKACTTYABN-OAHLLOKOSA-N
MW311.45 g/mol
LogP0.74
Rot. Bonds7

About 2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-N,N-dimethylethanesulfonamide

2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-N,N-dimethylethanesulfonamide (PubChem CID 95197428) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-N,N-dimethylethanesulfonamide
PubChem CID95197428
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCN[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C15H25N3O2S/c1-17(2)21(19,20)11-9-16-15-8-10-18(13-15)12-14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3/t15-/m1/s1
InChIKeyRGDCSKACTTYABN-OAHLLOKOSA-N
XLogP0.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 43089230
3-[2-[(1-benzylpyrrolidin-3-yl)amino]ethyl]-1,1-dimethylurea
CID 83108275
1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine
CID 60694335
N'-[(3S)-1-benzylpyrrolidin-3-yl]propane-1,3-diamine
CID 54251680
1-benzyl-4-(dimethylsulfamoylamino)piperidine
CID 11044707
1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine
CID 113222195
1-benzyl-N-pent-3-ynylpyrrolidin-3-amine
CID 116642852
1-benzyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 55025121
1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine
CID 115690185
N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide
CID 43145152
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
1-benzyl-3-(dipropylsulfamoylamino)pyrrolidine
CID 42958012

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-N,N-dimethylethanesulfonamide (CID 95197428) is 2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-N,N-dimethylethanesulfonamide is CN(C)S(=O)(=O)CCN[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of 2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-N,N-dimethylethanesulfonamide?
The InChIKey is RGDCSKACTTYABN-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-17(2)21(19,20)11-9-16-15-8-10-18(13-15)12-14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-N,N-dimethylethanesulfonamide?
2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-N,N-dimethylethanesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 95197428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).