(3R,4S)-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine

C12H19N3O2S — CID 72899555

IUPAC(3R,4S)-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine
SMILESCC(C)[C@H]1CN(S(=O)(=O)c2cccnc2)C[C@@H]1N
InChIInChI=1S/C12H19N3O2S/c1-9(2)11-7-15(8-12(11)13)18(16,17)10-4-3-5-14-6-10/h3-6,9,11-12H,7-8,13H2,1-2H3/t11-,12+/m1/s1
InChIKeyAWMYKLAGXQZBLI-NEPJUHHUSA-N
MW269.37 g/mol
LogP0.69
Rot. Bonds3

About (3R,4S)-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine

(3R,4S)-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine (PubChem CID 72899555) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is (3R,4S)-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine
PubChem CID72899555
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name(3R,4S)-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine
SMILESCC(C)[C@H]1CN(S(=O)(=O)c2cccnc2)C[C@@H]1N
InChIInChI=1S/C12H19N3O2S/c1-9(2)11-7-15(8-12(11)13)18(16,17)10-4-3-5-14-6-10/h3-6,9,11-12H,7-8,13H2,1-2H3/t11-,12+/m1/s1
InChIKeyAWMYKLAGXQZBLI-NEPJUHHUSA-N
XLogP0.69
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine (CID 72899555) is (3R,4S)-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine is CC(C)[C@H]1CN(S(=O)(=O)c2cccnc2)C[C@@H]1N.
What is the InChIKey of (3R,4S)-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine?
The InChIKey is AWMYKLAGXQZBLI-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9(2)11-7-15(8-12(11)13)18(16,17)10-4-3-5-14-6-10/h3-6,9,11-12H,7-8,13H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of (3R,4S)-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine?
(3R,4S)-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine has a molecular weight of 269.37 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine is sourced from PubChem (CID 72899555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).