N-(2-amino-1-phenylethyl)pyrrolidine-1-sulfonamide

C12H19N3O2S — CID 61124934

IUPACN-(2-amino-1-phenylethyl)pyrrolidine-1-sulfonamide
SMILESNCC(NS(=O)(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C12H19N3O2S/c13-10-12(11-6-2-1-3-7-11)14-18(16,17)15-8-4-5-9-15/h1-3,6-7,12,14H,4-5,8-10,13H2
InChIKeyYOEDDZPCCRAIQW-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.62
Rot. Bonds5

About N-(2-amino-1-phenylethyl)pyrrolidine-1-sulfonamide

N-(2-amino-1-phenylethyl)pyrrolidine-1-sulfonamide (PubChem CID 61124934) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(2-amino-1-phenylethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-phenylethyl)pyrrolidine-1-sulfonamide
PubChem CID61124934
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-(2-amino-1-phenylethyl)pyrrolidine-1-sulfonamide
SMILESNCC(NS(=O)(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C12H19N3O2S/c13-10-12(11-6-2-1-3-7-11)14-18(16,17)15-8-4-5-9-15/h1-3,6-7,12,14H,4-5,8-10,13H2
InChIKeyYOEDDZPCCRAIQW-UHFFFAOYSA-N
XLogP0.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(2R,3S)-1-hydroxy-3-phenylbutan-2-yl]azepane-1-sulfonamide
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N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide
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N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]pyrrolidine-1-sulfonamide
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[2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenylethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(2-amino-1-phenylethyl)pyrrolidine-1-sulfonamide (CID 61124934) is N-(2-amino-1-phenylethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(2-amino-1-phenylethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(2-amino-1-phenylethyl)pyrrolidine-1-sulfonamide is NCC(NS(=O)(=O)N1CCCC1)c1ccccc1.
What is the InChIKey of N-(2-amino-1-phenylethyl)pyrrolidine-1-sulfonamide?
The InChIKey is YOEDDZPCCRAIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c13-10-12(11-6-2-1-3-7-11)14-18(16,17)15-8-4-5-9-15/h1-3,6-7,12,14H,4-5,8-10,13H2.
What are the key properties of N-(2-amino-1-phenylethyl)pyrrolidine-1-sulfonamide?
N-(2-amino-1-phenylethyl)pyrrolidine-1-sulfonamide has a molecular weight of 269.37 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-phenylethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 61124934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).