(3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine

C16H25N3O3S — CID 72856761

IUPAC(3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine
SMILESCOC1CCN(S(=O)(=O)N2C[C@H](c3ccccc3)[C@@H](N)C2)CC1
InChIInChI=1S/C16H25N3O3S/c1-22-14-7-9-18(10-8-14)23(20,21)19-11-15(16(17)12-19)13-5-3-2-4-6-13/h2-6,14-16H,7-12,17H2,1H3/t15-,16+/m1/s1
InChIKeyWWMAWLOHJOCLTK-CVEARBPZSA-N
MW339.46 g/mol
LogP0.77
Rot. Bonds4

About (3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine

(3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine (PubChem CID 72856761) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is (3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine
PubChem CID72856761
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name(3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine
SMILESCOC1CCN(S(=O)(=O)N2C[C@H](c3ccccc3)[C@@H](N)C2)CC1
InChIInChI=1S/C16H25N3O3S/c1-22-14-7-9-18(10-8-14)23(20,21)19-11-15(16(17)12-19)13-5-3-2-4-6-13/h2-6,14-16H,7-12,17H2,1H3/t15-,16+/m1/s1
InChIKeyWWMAWLOHJOCLTK-CVEARBPZSA-N
XLogP0.77
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine (CID 72856761) is (3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine is COC1CCN(S(=O)(=O)N2C[C@H](c3ccccc3)[C@@H](N)C2)CC1.
What is the InChIKey of (3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine?
The InChIKey is WWMAWLOHJOCLTK-CVEARBPZSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-22-14-7-9-18(10-8-14)23(20,21)19-11-15(16(17)12-19)13-5-3-2-4-6-13/h2-6,14-16H,7-12,17H2,1H3/t15-,16+/m1/s1.
What are the key properties of (3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine?
(3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine has a molecular weight of 339.46 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 72856761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).