(4S)-N-(2-ethylsulfonylphenyl)-4-methoxypyrrolidin-3-amine

C13H20N2O3S — CID 43598929

IUPAC(4S)-N-(2-ethylsulfonylphenyl)-4-methoxypyrrolidin-3-amine
SMILESCCS(=O)(=O)c1ccccc1NC1CNC[C@@H]1OC
InChIInChI=1S/C13H20N2O3S/c1-3-19(16,17)13-7-5-4-6-10(13)15-11-8-14-9-12(11)18-2/h4-7,11-12,14-15H,3,8-9H2,1-2H3/t11?,12-/m0/s1
InChIKeyFWIDHXSDHHBLNU-KIYNQFGBSA-N
MW284.38 g/mol
LogP0.88
Rot. Bonds5

About (4S)-N-(2-ethylsulfonylphenyl)-4-methoxypyrrolidin-3-amine

(4S)-N-(2-ethylsulfonylphenyl)-4-methoxypyrrolidin-3-amine (PubChem CID 43598929) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is (4S)-N-(2-ethylsulfonylphenyl)-4-methoxypyrrolidin-3-amine.

Molecular Properties

Compound Name(4S)-N-(2-ethylsulfonylphenyl)-4-methoxypyrrolidin-3-amine
PubChem CID43598929
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name(4S)-N-(2-ethylsulfonylphenyl)-4-methoxypyrrolidin-3-amine
SMILESCCS(=O)(=O)c1ccccc1NC1CNC[C@@H]1OC
InChIInChI=1S/C13H20N2O3S/c1-3-19(16,17)13-7-5-4-6-10(13)15-11-8-14-9-12(11)18-2/h4-7,11-12,14-15H,3,8-9H2,1-2H3/t11?,12-/m0/s1
InChIKeyFWIDHXSDHHBLNU-KIYNQFGBSA-N
XLogP0.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-(2-ethylsulfonylphenyl)-4-methoxypyrrolidin-3-amine?
The IUPAC name of (4S)-N-(2-ethylsulfonylphenyl)-4-methoxypyrrolidin-3-amine (CID 43598929) is (4S)-N-(2-ethylsulfonylphenyl)-4-methoxypyrrolidin-3-amine.
What is the SMILES notation for (4S)-N-(2-ethylsulfonylphenyl)-4-methoxypyrrolidin-3-amine?
The canonical SMILES for (4S)-N-(2-ethylsulfonylphenyl)-4-methoxypyrrolidin-3-amine is CCS(=O)(=O)c1ccccc1NC1CNC[C@@H]1OC.
What is the InChIKey of (4S)-N-(2-ethylsulfonylphenyl)-4-methoxypyrrolidin-3-amine?
The InChIKey is FWIDHXSDHHBLNU-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-19(16,17)13-7-5-4-6-10(13)15-11-8-14-9-12(11)18-2/h4-7,11-12,14-15H,3,8-9H2,1-2H3/t11?,12-/m0/s1.
What are the key properties of (4S)-N-(2-ethylsulfonylphenyl)-4-methoxypyrrolidin-3-amine?
(4S)-N-(2-ethylsulfonylphenyl)-4-methoxypyrrolidin-3-amine has a molecular weight of 284.38 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(2-ethylsulfonylphenyl)-4-methoxypyrrolidin-3-amine is sourced from PubChem (CID 43598929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).