(3R,4S)-3-amino-N-ethyl-N-methyl-4-propylpyrrolidine-1-sulfonamide

C10H23N3O2S — CID 72885954

IUPAC(3R,4S)-3-amino-N-ethyl-N-methyl-4-propylpyrrolidine-1-sulfonamide
SMILESCCC[C@H]1CN(S(=O)(=O)N(C)CC)C[C@@H]1N
InChIInChI=1S/C10H23N3O2S/c1-4-6-9-7-13(8-10(9)11)16(14,15)12(3)5-2/h9-10H,4-8,11H2,1-3H3/t9-,10-/m0/s1
InChIKeyGGFGAZRHRRPGOR-UWVGGRQHSA-N
MW249.38 g/mol
LogP0.24
Rot. Bonds5

About (3R,4S)-3-amino-N-ethyl-N-methyl-4-propylpyrrolidine-1-sulfonamide

(3R,4S)-3-amino-N-ethyl-N-methyl-4-propylpyrrolidine-1-sulfonamide (PubChem CID 72885954) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is (3R,4S)-3-amino-N-ethyl-N-methyl-4-propylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3R,4S)-3-amino-N-ethyl-N-methyl-4-propylpyrrolidine-1-sulfonamide
PubChem CID72885954
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name(3R,4S)-3-amino-N-ethyl-N-methyl-4-propylpyrrolidine-1-sulfonamide
SMILESCCC[C@H]1CN(S(=O)(=O)N(C)CC)C[C@@H]1N
InChIInChI=1S/C10H23N3O2S/c1-4-6-9-7-13(8-10(9)11)16(14,15)12(3)5-2/h9-10H,4-8,11H2,1-3H3/t9-,10-/m0/s1
InChIKeyGGFGAZRHRRPGOR-UWVGGRQHSA-N
XLogP0.24
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-N-ethyl-N-methyl-4-propylpyrrolidine-1-sulfonamide?
The IUPAC name of (3R,4S)-3-amino-N-ethyl-N-methyl-4-propylpyrrolidine-1-sulfonamide (CID 72885954) is (3R,4S)-3-amino-N-ethyl-N-methyl-4-propylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (3R,4S)-3-amino-N-ethyl-N-methyl-4-propylpyrrolidine-1-sulfonamide?
The canonical SMILES for (3R,4S)-3-amino-N-ethyl-N-methyl-4-propylpyrrolidine-1-sulfonamide is CCC[C@H]1CN(S(=O)(=O)N(C)CC)C[C@@H]1N.
What is the InChIKey of (3R,4S)-3-amino-N-ethyl-N-methyl-4-propylpyrrolidine-1-sulfonamide?
The InChIKey is GGFGAZRHRRPGOR-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-4-6-9-7-13(8-10(9)11)16(14,15)12(3)5-2/h9-10H,4-8,11H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of (3R,4S)-3-amino-N-ethyl-N-methyl-4-propylpyrrolidine-1-sulfonamide?
(3R,4S)-3-amino-N-ethyl-N-methyl-4-propylpyrrolidine-1-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-amino-N-ethyl-N-methyl-4-propylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 72885954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).