N-(1-aminoethyl)pyrrolidine-1-sulfonamide

C6H15N3O2S — CID 117126220

IUPACN-(1-aminoethyl)pyrrolidine-1-sulfonamide
SMILESCC(N)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C6H15N3O2S/c1-6(7)8-12(10,11)9-4-2-3-5-9/h6,8H,2-5,7H2,1H3
InChIKeyIGXMGBIHSUENBN-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.78
Rot. Bonds3

About N-(1-aminoethyl)pyrrolidine-1-sulfonamide

N-(1-aminoethyl)pyrrolidine-1-sulfonamide (PubChem CID 117126220) has the molecular formula C6H15N3O2S and a molecular weight of 193.27 g/mol. Its IUPAC name is N-(1-aminoethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-aminoethyl)pyrrolidine-1-sulfonamide
PubChem CID117126220
Molecular FormulaC6H15N3O2S
Molecular Weight193.27 g/mol
Exact Mass193.09
IUPAC NameN-(1-aminoethyl)pyrrolidine-1-sulfonamide
SMILESCC(N)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C6H15N3O2S/c1-6(7)8-12(10,11)9-4-2-3-5-9/h6,8H,2-5,7H2,1H3
InChIKeyIGXMGBIHSUENBN-UHFFFAOYSA-N
XLogP-0.78
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-but-3-yn-2-ylazepane-1-sulfonamide
CID 114419133
methyl 2-(piperidin-1-ylsulfonylamino)propanoate
CID 60723843
N-(1-amino-4-methylpentan-3-yl)azepane-1-sulfonamide
CID 106357410
(2S,3R)-3-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 28783815
N-[(3R)-3-aminobutyl]azepane-1-sulfonamide
CID 95037628
N-[1-(4-aminophenyl)ethyl]piperidine-1-sulfonamide
CID 43297932
N-(3-oxopentan-2-yl)azepane-1-sulfonamide
CID 64994212
N-(1-bromo-4-methylpentan-2-yl)pyrrolidine-1-sulfonamide
CID 114297202
N-propan-2-yl-1,4-diazepane-1-sulfonamide;hydrochloride
CID 120999320
N-(1-amino-4,4-dimethylpentan-3-yl)pyrrolidine-1-sulfonamide
CID 106357464
diethyl 2-(piperidin-1-ylsulfonylamino)propanedioate
CID 43431744
N-(3-amino-2-methylpropyl)pyrrolidine-1-sulfonamide
CID 62667987

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(1-aminoethyl)pyrrolidine-1-sulfonamide (CID 117126220) is N-(1-aminoethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(1-aminoethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(1-aminoethyl)pyrrolidine-1-sulfonamide is CC(N)NS(=O)(=O)N1CCCC1.
What is the InChIKey of N-(1-aminoethyl)pyrrolidine-1-sulfonamide?
The InChIKey is IGXMGBIHSUENBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S/c1-6(7)8-12(10,11)9-4-2-3-5-9/h6,8H,2-5,7H2,1H3.
What are the key properties of N-(1-aminoethyl)pyrrolidine-1-sulfonamide?
N-(1-aminoethyl)pyrrolidine-1-sulfonamide has a molecular weight of 193.27 g/mol, XLogP of -0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 117126220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).