2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide

C9H21N3O2S — CID 16794699

IUPAC2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)CCN
InChIInChI=1S/C9H21N3O2S/c1-2-12-6-3-4-9(12)8-11-15(13,14)7-5-10/h9,11H,2-8,10H2,1H3
InChIKeyHXVFULWROSRAEF-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.65
Rot. Bonds6

About 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide

2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide (PubChem CID 16794699) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide
PubChem CID16794699
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)CCN
InChIInChI=1S/C9H21N3O2S/c1-2-12-6-3-4-9(12)8-11-15(13,14)7-5-10/h9,11H,2-8,10H2,1H3
InChIKeyHXVFULWROSRAEF-UHFFFAOYSA-N
XLogP-0.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide (CID 16794699) is 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide is CCN1CCCC1CNS(=O)(=O)CCN.
What is the InChIKey of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide?
The InChIKey is HXVFULWROSRAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-2-12-6-3-4-9(12)8-11-15(13,14)7-5-10/h9,11H,2-8,10H2,1H3.
What are the key properties of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide?
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide has a molecular weight of 235.35 g/mol, XLogP of -0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 16794699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).