(3R)-3-amino-N-benzyl-N-methylpyrrolidine-1-sulfonamide

C12H19N3O2S — CID 115301795

IUPAC(3R)-3-amino-N-benzyl-N-methylpyrrolidine-1-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C12H19N3O2S/c1-14(9-11-5-3-2-4-6-11)18(16,17)15-8-7-12(13)10-15/h2-6,12H,7-10,13H2,1H3/t12-/m1/s1
InChIKeyJWHVOAXBDFOLAG-GFCCVEGCSA-N
MW269.37 g/mol
LogP0.40
Rot. Bonds4

About (3R)-3-amino-N-benzyl-N-methylpyrrolidine-1-sulfonamide

(3R)-3-amino-N-benzyl-N-methylpyrrolidine-1-sulfonamide (PubChem CID 115301795) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is (3R)-3-amino-N-benzyl-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-3-amino-N-benzyl-N-methylpyrrolidine-1-sulfonamide
PubChem CID115301795
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name(3R)-3-amino-N-benzyl-N-methylpyrrolidine-1-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C12H19N3O2S/c1-14(9-11-5-3-2-4-6-11)18(16,17)15-8-7-12(13)10-15/h2-6,12H,7-10,13H2,1H3/t12-/m1/s1
InChIKeyJWHVOAXBDFOLAG-GFCCVEGCSA-N
XLogP0.40
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-aminoethyl)-N-benzyl-N-methylpiperidine-1-sulfonamide
CID 63594648
3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide
CID 156605285
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylazetidine-1-sulfonamide
CID 65245123
(3R,4S)-N-benzyl-3-(dimethylamino)-N-methyl-4-propan-2-ylpyrrolidine-1-sulfonamide
CID 164629694
3-amino-N-methyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride
CID 119971553
(3S)-3-amino-N-butyl-N-methylpyrrolidine-1-sulfonamide
CID 115302268
N-[[4-(aminomethyl)phenyl]methyl]-N,4-dimethylpiperidine-1-sulfonamide
CID 60921183
(1S,5R)-N-benzyl-N,6-dimethyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
CID 70751859
(3R)-N-benzyl-3-(1-ethylimidazol-2-yl)-N-methylpiperidine-1-sulfonamide
CID 97151933
N-benzyl-3-(1-ethylimidazol-2-yl)-N-methylpiperidine-1-sulfonamide
CID 70780194
(1S,5S)-N-benzyl-N-methyl-6-propyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
CID 133128916
(3S)-3-amino-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 94340197

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-benzyl-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of (3R)-3-amino-N-benzyl-N-methylpyrrolidine-1-sulfonamide (CID 115301795) is (3R)-3-amino-N-benzyl-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (3R)-3-amino-N-benzyl-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for (3R)-3-amino-N-benzyl-N-methylpyrrolidine-1-sulfonamide is CN(Cc1ccccc1)S(=O)(=O)N1CC[C@@H](N)C1.
What is the InChIKey of (3R)-3-amino-N-benzyl-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is JWHVOAXBDFOLAG-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-14(9-11-5-3-2-4-6-11)18(16,17)15-8-7-12(13)10-15/h2-6,12H,7-10,13H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-3-amino-N-benzyl-N-methylpyrrolidine-1-sulfonamide?
(3R)-3-amino-N-benzyl-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 269.37 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-N-benzyl-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 115301795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).