(3R,4S)-4-propyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidin-3-amine

C13H24N4O2S — CID 72860493

IUPAC(3R,4S)-4-propyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidin-3-amine
SMILESCCC[C@H]1CN(S(=O)(=O)c2ccnn2CCC)C[C@@H]1N
InChIInChI=1S/C13H24N4O2S/c1-3-5-11-9-16(10-12(11)14)20(18,19)13-6-7-15-17(13)8-4-2/h6-7,11-12H,3-5,8-10,14H2,1-2H3/t11-,12-/m0/s1
InChIKeyLNUMUCUOCUZZNF-RYUDHWBXSA-N
MW300.43 g/mol
LogP1.04
Rot. Bonds6

About (3R,4S)-4-propyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidin-3-amine

(3R,4S)-4-propyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidin-3-amine (PubChem CID 72860493) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is (3R,4S)-4-propyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-propyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidin-3-amine
PubChem CID72860493
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name(3R,4S)-4-propyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidin-3-amine
SMILESCCC[C@H]1CN(S(=O)(=O)c2ccnn2CCC)C[C@@H]1N
InChIInChI=1S/C13H24N4O2S/c1-3-5-11-9-16(10-12(11)14)20(18,19)13-6-7-15-17(13)8-4-2/h6-7,11-12H,3-5,8-10,14H2,1-2H3/t11-,12-/m0/s1
InChIKeyLNUMUCUOCUZZNF-RYUDHWBXSA-N
XLogP1.04
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-propyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-propyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidin-3-amine (CID 72860493) is (3R,4S)-4-propyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-propyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-propyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidin-3-amine is CCC[C@H]1CN(S(=O)(=O)c2ccnn2CCC)C[C@@H]1N.
What is the InChIKey of (3R,4S)-4-propyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidin-3-amine?
The InChIKey is LNUMUCUOCUZZNF-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-3-5-11-9-16(10-12(11)14)20(18,19)13-6-7-15-17(13)8-4-2/h6-7,11-12H,3-5,8-10,14H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (3R,4S)-4-propyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidin-3-amine?
(3R,4S)-4-propyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidin-3-amine has a molecular weight of 300.43 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-propyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 72860493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).