(3S,4R)-4-cyclopropyl-1-morpholin-4-ylsulfonylpyrrolidin-3-amine

C11H21N3O3S — CID 133116023

IUPAC(3S,4R)-4-cyclopropyl-1-morpholin-4-ylsulfonylpyrrolidin-3-amine
SMILESN[C@@H]1CN(S(=O)(=O)N2CCOCC2)C[C@H]1C1CC1
InChIInChI=1S/C11H21N3O3S/c12-11-8-14(7-10(11)9-1-2-9)18(15,16)13-3-5-17-6-4-13/h9-11H,1-8,12H2/t10-,11+/m0/s1
InChIKeyAGAVEVMZIFFHSM-WDEREUQCSA-N
MW275.37 g/mol
LogP-0.77
Rot. Bonds3

About (3S,4R)-4-cyclopropyl-1-morpholin-4-ylsulfonylpyrrolidin-3-amine

(3S,4R)-4-cyclopropyl-1-morpholin-4-ylsulfonylpyrrolidin-3-amine (PubChem CID 133116023) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is (3S,4R)-4-cyclopropyl-1-morpholin-4-ylsulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-cyclopropyl-1-morpholin-4-ylsulfonylpyrrolidin-3-amine
PubChem CID133116023
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name(3S,4R)-4-cyclopropyl-1-morpholin-4-ylsulfonylpyrrolidin-3-amine
SMILESN[C@@H]1CN(S(=O)(=O)N2CCOCC2)C[C@H]1C1CC1
InChIInChI=1S/C11H21N3O3S/c12-11-8-14(7-10(11)9-1-2-9)18(15,16)13-3-5-17-6-4-13/h9-11H,1-8,12H2/t10-,11+/m0/s1
InChIKeyAGAVEVMZIFFHSM-WDEREUQCSA-N
XLogP-0.77
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-cyclopropyl-1-morpholin-4-ylsulfonylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-cyclopropyl-1-morpholin-4-ylsulfonylpyrrolidin-3-amine (CID 133116023) is (3S,4R)-4-cyclopropyl-1-morpholin-4-ylsulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-cyclopropyl-1-morpholin-4-ylsulfonylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-cyclopropyl-1-morpholin-4-ylsulfonylpyrrolidin-3-amine is N[C@@H]1CN(S(=O)(=O)N2CCOCC2)C[C@H]1C1CC1.
What is the InChIKey of (3S,4R)-4-cyclopropyl-1-morpholin-4-ylsulfonylpyrrolidin-3-amine?
The InChIKey is AGAVEVMZIFFHSM-WDEREUQCSA-N. The full InChI is InChI=1S/C11H21N3O3S/c12-11-8-14(7-10(11)9-1-2-9)18(15,16)13-3-5-17-6-4-13/h9-11H,1-8,12H2/t10-,11+/m0/s1.
What are the key properties of (3S,4R)-4-cyclopropyl-1-morpholin-4-ylsulfonylpyrrolidin-3-amine?
(3S,4R)-4-cyclopropyl-1-morpholin-4-ylsulfonylpyrrolidin-3-amine has a molecular weight of 275.37 g/mol, XLogP of -0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-cyclopropyl-1-morpholin-4-ylsulfonylpyrrolidin-3-amine is sourced from PubChem (CID 133116023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).