(3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine

C13H20N2O2S — CID 94340425

IUPAC(3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
SMILESCC(C)c1ccc(S(=O)(=O)N2CC[C@@H](N)C2)cc1
InChIInChI=1S/C13H20N2O2S/c1-10(2)11-3-5-13(6-4-11)18(16,17)15-8-7-12(14)9-15/h3-6,10,12H,7-9,14H2,1-2H3/t12-/m1/s1
InChIKeyGKLNIJOTOAPFPI-GFCCVEGCSA-N
MW268.38 g/mol
LogP1.53
Rot. Bonds3

About (3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine

(3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine (PubChem CID 94340425) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is (3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
PubChem CID94340425
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name(3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
SMILESCC(C)c1ccc(S(=O)(=O)N2CC[C@@H](N)C2)cc1
InChIInChI=1S/C13H20N2O2S/c1-10(2)11-3-5-13(6-4-11)18(16,17)15-8-7-12(14)9-15/h3-6,10,12H,7-9,14H2,1-2H3/t12-/m1/s1
InChIKeyGKLNIJOTOAPFPI-GFCCVEGCSA-N
XLogP1.53
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine
CID 43605511
1-(4-propan-2-ylphenyl)sulfonylazetidin-3-amine
CID 65244701
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962425
[1-[4-(4-propan-2-ylphenyl)phenyl]sulfonylpyrrolidin-3-yl]methanesulfonamide
CID 171908264
1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 62067673
4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide;hydrochloride
CID 120999160
(3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993597
2-methyl-1,4-bis[(4-propan-2-ylphenyl)sulfonyl]piperazine
CID 2899373
1-(4-propan-2-ylphenyl)sulfonylazetidin-3-ol
CID 55177243
1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 110708840
(3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119993487
1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971532

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine (CID 94340425) is (3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine is CC(C)c1ccc(S(=O)(=O)N2CC[C@@H](N)C2)cc1.
What is the InChIKey of (3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine?
The InChIKey is GKLNIJOTOAPFPI-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10(2)11-3-5-13(6-4-11)18(16,17)15-8-7-12(14)9-15/h3-6,10,12H,7-9,14H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine?
(3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine has a molecular weight of 268.38 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 94340425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).