(3R,4S)-3-amino-N-benzyl-N-methyl-4-propylpyrrolidine-1-sulfonamide

C15H25N3O2S — CID 72929711

IUPAC(3R,4S)-3-amino-N-benzyl-N-methyl-4-propylpyrrolidine-1-sulfonamide
SMILESCCC[C@H]1CN(S(=O)(=O)N(C)Cc2ccccc2)C[C@@H]1N
InChIInChI=1S/C15H25N3O2S/c1-3-7-14-11-18(12-15(14)16)21(19,20)17(2)10-13-8-5-4-6-9-13/h4-6,8-9,14-15H,3,7,10-12,16H2,1-2H3/t14-,15-/m0/s1
InChIKeyHKSYHPDGGTWHSQ-GJZGRUSLSA-N
MW311.45 g/mol
LogP1.42
Rot. Bonds6

About (3R,4S)-3-amino-N-benzyl-N-methyl-4-propylpyrrolidine-1-sulfonamide

(3R,4S)-3-amino-N-benzyl-N-methyl-4-propylpyrrolidine-1-sulfonamide (PubChem CID 72929711) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is (3R,4S)-3-amino-N-benzyl-N-methyl-4-propylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3R,4S)-3-amino-N-benzyl-N-methyl-4-propylpyrrolidine-1-sulfonamide
PubChem CID72929711
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name(3R,4S)-3-amino-N-benzyl-N-methyl-4-propylpyrrolidine-1-sulfonamide
SMILESCCC[C@H]1CN(S(=O)(=O)N(C)Cc2ccccc2)C[C@@H]1N
InChIInChI=1S/C15H25N3O2S/c1-3-7-14-11-18(12-15(14)16)21(19,20)17(2)10-13-8-5-4-6-9-13/h4-6,8-9,14-15H,3,7,10-12,16H2,1-2H3/t14-,15-/m0/s1
InChIKeyHKSYHPDGGTWHSQ-GJZGRUSLSA-N
XLogP1.42
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-N-benzyl-N-methyl-4-propylpyrrolidine-1-sulfonamide?
The IUPAC name of (3R,4S)-3-amino-N-benzyl-N-methyl-4-propylpyrrolidine-1-sulfonamide (CID 72929711) is (3R,4S)-3-amino-N-benzyl-N-methyl-4-propylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (3R,4S)-3-amino-N-benzyl-N-methyl-4-propylpyrrolidine-1-sulfonamide?
The canonical SMILES for (3R,4S)-3-amino-N-benzyl-N-methyl-4-propylpyrrolidine-1-sulfonamide is CCC[C@H]1CN(S(=O)(=O)N(C)Cc2ccccc2)C[C@@H]1N.
What is the InChIKey of (3R,4S)-3-amino-N-benzyl-N-methyl-4-propylpyrrolidine-1-sulfonamide?
The InChIKey is HKSYHPDGGTWHSQ-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-7-14-11-18(12-15(14)16)21(19,20)17(2)10-13-8-5-4-6-9-13/h4-6,8-9,14-15H,3,7,10-12,16H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of (3R,4S)-3-amino-N-benzyl-N-methyl-4-propylpyrrolidine-1-sulfonamide?
(3R,4S)-3-amino-N-benzyl-N-methyl-4-propylpyrrolidine-1-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-amino-N-benzyl-N-methyl-4-propylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 72929711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).