(3S,4S)-N-(benzylsulfamoyl)-4-methoxy-1-propan-2-ylpyrrolidin-3-amine

C15H25N3O3S — CID 56890496

IUPAC(3S,4S)-N-(benzylsulfamoyl)-4-methoxy-1-propan-2-ylpyrrolidin-3-amine
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C15H25N3O3S/c1-12(2)18-10-14(15(11-18)21-3)17-22(19,20)16-9-13-7-5-4-6-8-13/h4-8,12,14-17H,9-11H2,1-3H3/t14-,15-/m0/s1
InChIKeyAIQNWDBZNQNPFA-GJZGRUSLSA-N
MW327.45 g/mol
LogP0.72
Rot. Bonds7

About (3S,4S)-N-(benzylsulfamoyl)-4-methoxy-1-propan-2-ylpyrrolidin-3-amine

(3S,4S)-N-(benzylsulfamoyl)-4-methoxy-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 56890496) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is (3S,4S)-N-(benzylsulfamoyl)-4-methoxy-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4S)-N-(benzylsulfamoyl)-4-methoxy-1-propan-2-ylpyrrolidin-3-amine
PubChem CID56890496
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name(3S,4S)-N-(benzylsulfamoyl)-4-methoxy-1-propan-2-ylpyrrolidin-3-amine
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C15H25N3O3S/c1-12(2)18-10-14(15(11-18)21-3)17-22(19,20)16-9-13-7-5-4-6-8-13/h4-8,12,14-17H,9-11H2,1-3H3/t14-,15-/m0/s1
InChIKeyAIQNWDBZNQNPFA-GJZGRUSLSA-N
XLogP0.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-(benzylsulfamoyl)-4-methoxy-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (3S,4S)-N-(benzylsulfamoyl)-4-methoxy-1-propan-2-ylpyrrolidin-3-amine (CID 56890496) is (3S,4S)-N-(benzylsulfamoyl)-4-methoxy-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4S)-N-(benzylsulfamoyl)-4-methoxy-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3S,4S)-N-(benzylsulfamoyl)-4-methoxy-1-propan-2-ylpyrrolidin-3-amine is CO[C@H]1CN(C(C)C)C[C@@H]1NS(=O)(=O)NCc1ccccc1.
What is the InChIKey of (3S,4S)-N-(benzylsulfamoyl)-4-methoxy-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is AIQNWDBZNQNPFA-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-12(2)18-10-14(15(11-18)21-3)17-22(19,20)16-9-13-7-5-4-6-8-13/h4-8,12,14-17H,9-11H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of (3S,4S)-N-(benzylsulfamoyl)-4-methoxy-1-propan-2-ylpyrrolidin-3-amine?
(3S,4S)-N-(benzylsulfamoyl)-4-methoxy-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 327.45 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-(benzylsulfamoyl)-4-methoxy-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 56890496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).