(3R,4S)-3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide

C15H23N3O2S — CID 72880787

IUPAC(3R,4S)-3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)N1C[C@H](C2CC2)[C@@H](N)C1
InChIInChI=1S/C15H23N3O2S/c1-17(9-12-5-3-2-4-6-12)21(19,20)18-10-14(13-7-8-13)15(16)11-18/h2-6,13-15H,7-11,16H2,1H3/t14-,15+/m1/s1
InChIKeyKHWUYMPARZFSKI-CABCVRRESA-N
MW309.43 g/mol
LogP1.03
Rot. Bonds5

About (3R,4S)-3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide

(3R,4S)-3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide (PubChem CID 72880787) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is (3R,4S)-3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3R,4S)-3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide
PubChem CID72880787
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name(3R,4S)-3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)N1C[C@H](C2CC2)[C@@H](N)C1
InChIInChI=1S/C15H23N3O2S/c1-17(9-12-5-3-2-4-6-12)21(19,20)18-10-14(13-7-8-13)15(16)11-18/h2-6,13-15H,7-11,16H2,1H3/t14-,15+/m1/s1
InChIKeyKHWUYMPARZFSKI-CABCVRRESA-N
XLogP1.03
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.03
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-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of (3R,4S)-3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide (CID 72880787) is (3R,4S)-3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (3R,4S)-3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for (3R,4S)-3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide is CN(Cc1ccccc1)S(=O)(=O)N1C[C@H](C2CC2)[C@@H](N)C1.
What is the InChIKey of (3R,4S)-3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is KHWUYMPARZFSKI-CABCVRRESA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-17(9-12-5-3-2-4-6-12)21(19,20)18-10-14(13-7-8-13)15(16)11-18/h2-6,13-15H,7-11,16H2,1H3/t14-,15+/m1/s1.
What are the key properties of (3R,4S)-3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide?
(3R,4S)-3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 309.43 g/mol, XLogP of 1.03, 5 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-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 72880787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).