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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Related Compounds

2-(Piperidin-4-yl)-1lambda6,2-thiazolidine-1,1-dione
CID 53256087
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]propane-1-sulfonamide
CID 91922807
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]propane-1-sulfonamide
CID 91922807
N-(Pyrrolidin-3-yl)propane-1-sulfonamide
CID 43602878
Pyrrolidin-2-ylmethanesulfonamide
CID 54593028
N-methyl-1-pyrrolidin-2-ylmethanesulfonamide
CID 61546212
N,N-dimethyl-2-(piperidin-3-ylamino)ethanesulfonamide
CID 56700520
N-(propan-2-yl)pyrrolidine-3-sulfonamide
CID 65422638
N-[2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]ethyl]methanesulfonamide
CID 75431194
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methoxypropane-2-sulfonamide
CID 75510917
3-Cyano-N-[(1-ethylpyrrolidin-2-YL)methyl]propane-1-sulfonamide
CID 86801799
N-[(2S)-2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide
CID 164641818

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).