(3R,4S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-propylpyrrolidin-3-amine

C13H24N4O2S — CID 72850934

IUPAC(3R,4S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-propylpyrrolidin-3-amine
SMILESCCC[C@H]1CN(S(=O)(=O)c2cnn(CC)c2C)C[C@@H]1N
InChIInChI=1S/C13H24N4O2S/c1-4-6-11-8-16(9-12(11)14)20(18,19)13-7-15-17(5-2)10(13)3/h7,11-12H,4-6,8-9,14H2,1-3H3/t11-,12-/m0/s1
InChIKeyRQLVBPHIAODSJN-RYUDHWBXSA-N
MW300.43 g/mol
LogP0.96
Rot. Bonds5

About (3R,4S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-propylpyrrolidin-3-amine

(3R,4S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-propylpyrrolidin-3-amine (PubChem CID 72850934) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is (3R,4S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-propylpyrrolidin-3-amine
PubChem CID72850934
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name(3R,4S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-propylpyrrolidin-3-amine
SMILESCCC[C@H]1CN(S(=O)(=O)c2cnn(CC)c2C)C[C@@H]1N
InChIInChI=1S/C13H24N4O2S/c1-4-6-11-8-16(9-12(11)14)20(18,19)13-7-15-17(5-2)10(13)3/h7,11-12H,4-6,8-9,14H2,1-3H3/t11-,12-/m0/s1
InChIKeyRQLVBPHIAODSJN-RYUDHWBXSA-N
XLogP0.96
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-propylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-propylpyrrolidin-3-amine (CID 72850934) is (3R,4S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-propylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-propylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-propylpyrrolidin-3-amine is CCC[C@H]1CN(S(=O)(=O)c2cnn(CC)c2C)C[C@@H]1N.
What is the InChIKey of (3R,4S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-propylpyrrolidin-3-amine?
The InChIKey is RQLVBPHIAODSJN-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-4-6-11-8-16(9-12(11)14)20(18,19)13-7-15-17(5-2)10(13)3/h7,11-12H,4-6,8-9,14H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of (3R,4S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-propylpyrrolidin-3-amine?
(3R,4S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-propylpyrrolidin-3-amine has a molecular weight of 300.43 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-propylpyrrolidin-3-amine is sourced from PubChem (CID 72850934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).