2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethanesulfonamide

C8H19N3O2S — CID 81466039

IUPAC2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethanesulfonamide
SMILESCC1CC(NCCS(N)(=O)=O)CN1C
InChIInChI=1S/C8H19N3O2S/c1-7-5-8(6-11(7)2)10-3-4-14(9,12)13/h7-8,10H,3-6H2,1-2H3,(H2,9,12,13)
InChIKeyFXURZJCWQRWCFE-UHFFFAOYSA-N
MW221.33 g/mol
LogP-1.04
Rot. Bonds4

About 2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethanesulfonamide

2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethanesulfonamide (PubChem CID 81466039) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethanesulfonamide
PubChem CID81466039
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethanesulfonamide
SMILESCC1CC(NCCS(N)(=O)=O)CN1C
InChIInChI=1S/C8H19N3O2S/c1-7-5-8(6-11(7)2)10-3-4-14(9,12)13/h7-8,10H,3-6H2,1-2H3,(H2,9,12,13)
InChIKeyFXURZJCWQRWCFE-UHFFFAOYSA-N
XLogP-1.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethanesulfonamide (CID 81466039) is 2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethanesulfonamide is CC1CC(NCCS(N)(=O)=O)CN1C.
What is the InChIKey of 2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethanesulfonamide?
The InChIKey is FXURZJCWQRWCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-7-5-8(6-11(7)2)10-3-4-14(9,12)13/h7-8,10H,3-6H2,1-2H3,(H2,9,12,13).
What are the key properties of 2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethanesulfonamide?
2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethanesulfonamide has a molecular weight of 221.33 g/mol, XLogP of -1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethanesulfonamide is sourced from PubChem (CID 81466039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).