(3R,4S)-1-(2-methoxyphenyl)sulfonyl-4-propan-2-ylpyrrolidin-3-amine

C14H22N2O3S — CID 72840932

IUPAC(3R,4S)-1-(2-methoxyphenyl)sulfonyl-4-propan-2-ylpyrrolidin-3-amine
SMILESCOc1ccccc1S(=O)(=O)N1C[C@H](C(C)C)[C@@H](N)C1
InChIInChI=1S/C14H22N2O3S/c1-10(2)11-8-16(9-12(11)15)20(17,18)14-7-5-4-6-13(14)19-3/h4-7,10-12H,8-9,15H2,1-3H3/t11-,12+/m1/s1
InChIKeyJYIOGSVFBGCGPJ-NEPJUHHUSA-N
MW298.41 g/mol
LogP1.30
Rot. Bonds4

About (3R,4S)-1-(2-methoxyphenyl)sulfonyl-4-propan-2-ylpyrrolidin-3-amine

(3R,4S)-1-(2-methoxyphenyl)sulfonyl-4-propan-2-ylpyrrolidin-3-amine (PubChem CID 72840932) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is (3R,4S)-1-(2-methoxyphenyl)sulfonyl-4-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-1-(2-methoxyphenyl)sulfonyl-4-propan-2-ylpyrrolidin-3-amine
PubChem CID72840932
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name(3R,4S)-1-(2-methoxyphenyl)sulfonyl-4-propan-2-ylpyrrolidin-3-amine
SMILESCOc1ccccc1S(=O)(=O)N1C[C@H](C(C)C)[C@@H](N)C1
InChIInChI=1S/C14H22N2O3S/c1-10(2)11-8-16(9-12(11)15)20(17,18)14-7-5-4-6-13(14)19-3/h4-7,10-12H,8-9,15H2,1-3H3/t11-,12+/m1/s1
InChIKeyJYIOGSVFBGCGPJ-NEPJUHHUSA-N
XLogP1.30
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(2-methoxyphenyl)sulfonyl-4-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-1-(2-methoxyphenyl)sulfonyl-4-propan-2-ylpyrrolidin-3-amine (CID 72840932) is (3R,4S)-1-(2-methoxyphenyl)sulfonyl-4-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-1-(2-methoxyphenyl)sulfonyl-4-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-1-(2-methoxyphenyl)sulfonyl-4-propan-2-ylpyrrolidin-3-amine is COc1ccccc1S(=O)(=O)N1C[C@H](C(C)C)[C@@H](N)C1.
What is the InChIKey of (3R,4S)-1-(2-methoxyphenyl)sulfonyl-4-propan-2-ylpyrrolidin-3-amine?
The InChIKey is JYIOGSVFBGCGPJ-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10(2)11-8-16(9-12(11)15)20(17,18)14-7-5-4-6-13(14)19-3/h4-7,10-12H,8-9,15H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of (3R,4S)-1-(2-methoxyphenyl)sulfonyl-4-propan-2-ylpyrrolidin-3-amine?
(3R,4S)-1-(2-methoxyphenyl)sulfonyl-4-propan-2-ylpyrrolidin-3-amine has a molecular weight of 298.41 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(2-methoxyphenyl)sulfonyl-4-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 72840932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).