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

C6H15N3O2S — CID 66872261

IUPAC1-(3-aminopyrrolidin-1-yl)ethanesulfonamide
SMILESCC(N1CCC(N)C1)S(N)(=O)=O
InChIInChI=1S/C6H15N3O2S/c1-5(12(8,10)11)9-3-2-6(7)4-9/h5-6H,2-4,7H2,1H3,(H2,8,10,11)
InChIKeyXCAJQSWZVGXBAR-UHFFFAOYSA-N
MW193.27 g/mol
LogP-1.35
Rot. Bonds2

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

1-(3-aminopyrrolidin-1-yl)ethanesulfonamide (PubChem CID 66872261) has the molecular formula C6H15N3O2S and a molecular weight of 193.27 g/mol. Its IUPAC name is 1-(3-aminopyrrolidin-1-yl)ethanesulfonamide.

Molecular Properties

Compound Name1-(3-aminopyrrolidin-1-yl)ethanesulfonamide
PubChem CID66872261
Molecular FormulaC6H15N3O2S
Molecular Weight193.27 g/mol
Exact Mass193.09
IUPAC Name1-(3-aminopyrrolidin-1-yl)ethanesulfonamide
SMILESCC(N1CCC(N)C1)S(N)(=O)=O
InChIInChI=1S/C6H15N3O2S/c1-5(12(8,10)11)9-3-2-6(7)4-9/h5-6H,2-4,7H2,1H3,(H2,8,10,11)
InChIKeyXCAJQSWZVGXBAR-UHFFFAOYSA-N
XLogP-1.35
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 67298942
2-[(3S)-3-aminopyrrolidin-1-yl]-N-propan-2-ylpropanamide
CID 81492569
1-(1-cyclobutyl-2-methylpropyl)pyrrolidin-3-amine
CID 130639012
(3S)-1-pentan-3-ylpyrrolidin-3-amine;dihydrochloride
CID 166000535
1-(6,6,6-trifluorohexan-2-yl)pyrrolidin-3-amine
CID 116535635
(3S)-3-amino-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 94340197
(3R)-3-amino-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 104978147
(3S)-1-(4,4,4-trifluorobutan-2-yl)pyrrolidin-3-amine;hydrochloride
CID 130617405
N-(3-aminopyrrolidin-1-yl)ethanesulfonamide
CID 66872263
(3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-amine;dihydrochloride
CID 118994718
(3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride
CID 66672546
(3S)-1-[(1S)-1-thiophen-2-ylethyl]pyrrolidin-3-amine
CID 93316384

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopyrrolidin-1-yl)ethanesulfonamide?
The IUPAC name of 1-(3-aminopyrrolidin-1-yl)ethanesulfonamide (CID 66872261) is 1-(3-aminopyrrolidin-1-yl)ethanesulfonamide.
What is the SMILES notation for 1-(3-aminopyrrolidin-1-yl)ethanesulfonamide?
The canonical SMILES for 1-(3-aminopyrrolidin-1-yl)ethanesulfonamide is CC(N1CCC(N)C1)S(N)(=O)=O.
What is the InChIKey of 1-(3-aminopyrrolidin-1-yl)ethanesulfonamide?
The InChIKey is XCAJQSWZVGXBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S/c1-5(12(8,10)11)9-3-2-6(7)4-9/h5-6H,2-4,7H2,1H3,(H2,8,10,11).
What are the key properties of 1-(3-aminopyrrolidin-1-yl)ethanesulfonamide?
1-(3-aminopyrrolidin-1-yl)ethanesulfonamide has a molecular weight of 193.27 g/mol, XLogP of -1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopyrrolidin-1-yl)ethanesulfonamide is sourced from PubChem (CID 66872261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).