N-(3-aminopyrrolidin-1-yl)ethanesulfonamide

C6H15N3O2S — CID 66872263

IUPACN-(3-aminopyrrolidin-1-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NN1CCC(N)C1
InChIInChI=1S/C6H15N3O2S/c1-2-12(10,11)8-9-4-3-6(7)5-9/h6,8H,2-5,7H2,1H3
InChIKeyIAYQTKVSIZBRMM-UHFFFAOYSA-N
MW193.27 g/mol
LogP-1.13
Rot. Bonds3

About N-(3-aminopyrrolidin-1-yl)ethanesulfonamide

N-(3-aminopyrrolidin-1-yl)ethanesulfonamide (PubChem CID 66872263) has the molecular formula C6H15N3O2S and a molecular weight of 193.27 g/mol. Its IUPAC name is N-(3-aminopyrrolidin-1-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopyrrolidin-1-yl)ethanesulfonamide
PubChem CID66872263
Molecular FormulaC6H15N3O2S
Molecular Weight193.27 g/mol
Exact Mass193.09
IUPAC NameN-(3-aminopyrrolidin-1-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NN1CCC(N)C1
InChIInChI=1S/C6H15N3O2S/c1-2-12(10,11)8-9-4-3-6(7)5-9/h6,8H,2-5,7H2,1H3
InChIKeyIAYQTKVSIZBRMM-UHFFFAOYSA-N
XLogP-1.13
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-aminopiperidin-1-yl)ethyl]ethanesulfonamide
CID 119908725
1-(3-aminopyrrolidin-1-yl)ethanesulfonamide
CID 66872261
(3S)-1-ethylpyrrolidin-3-amine
CID 10678211
(3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride
CID 66672546
1-butylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119971586
(3S)-1-pentan-3-ylpyrrolidin-3-amine;dihydrochloride
CID 166000535
(3R)-1-(2-methylbutylsulfonyl)pyrrolidin-3-amine
CID 119962777
methyl 2-(3-aminopyrrolidin-1-yl)sulfonylcyclohexane-1-carboxylate
CID 120874816
(3R)-3-amino-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 104978147
3-amino-N-propylpiperidine-1-sulfonamide
CID 114803216
3-amino-N-methyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride
CID 119971553
N-(3-aminocyclobutyl)ethanesulfonamide
CID 43597857

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopyrrolidin-1-yl)ethanesulfonamide?
The IUPAC name of N-(3-aminopyrrolidin-1-yl)ethanesulfonamide (CID 66872263) is N-(3-aminopyrrolidin-1-yl)ethanesulfonamide.
What is the SMILES notation for N-(3-aminopyrrolidin-1-yl)ethanesulfonamide?
The canonical SMILES for N-(3-aminopyrrolidin-1-yl)ethanesulfonamide is CCS(=O)(=O)NN1CCC(N)C1.
What is the InChIKey of N-(3-aminopyrrolidin-1-yl)ethanesulfonamide?
The InChIKey is IAYQTKVSIZBRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S/c1-2-12(10,11)8-9-4-3-6(7)5-9/h6,8H,2-5,7H2,1H3.
What are the key properties of N-(3-aminopyrrolidin-1-yl)ethanesulfonamide?
N-(3-aminopyrrolidin-1-yl)ethanesulfonamide has a molecular weight of 193.27 g/mol, XLogP of -1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopyrrolidin-1-yl)ethanesulfonamide is sourced from PubChem (CID 66872263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).