2-amino-N-(1-ethylpiperidin-3-yl)ethanesulfonamide

C9H21N3O2S — CID 61476840

IUPAC2-amino-N-(1-ethylpiperidin-3-yl)ethanesulfonamide
SMILESCCN1CCCC(NS(=O)(=O)CCN)C1
InChIInChI=1S/C9H21N3O2S/c1-2-12-6-3-4-9(8-12)11-15(13,14)7-5-10/h9,11H,2-8,10H2,1H3
InChIKeyLJBNAJJAUHDVHD-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.65
Rot. Bonds5

About 2-amino-N-(1-ethylpiperidin-3-yl)ethanesulfonamide

2-amino-N-(1-ethylpiperidin-3-yl)ethanesulfonamide (PubChem CID 61476840) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-amino-N-(1-ethylpiperidin-3-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1-ethylpiperidin-3-yl)ethanesulfonamide
PubChem CID61476840
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name2-amino-N-(1-ethylpiperidin-3-yl)ethanesulfonamide
SMILESCCN1CCCC(NS(=O)(=O)CCN)C1
InChIInChI=1S/C9H21N3O2S/c1-2-12-6-3-4-9(8-12)11-15(13,14)7-5-10/h9,11H,2-8,10H2,1H3
InChIKeyLJBNAJJAUHDVHD-UHFFFAOYSA-N
XLogP-0.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

methyl 4-[(1-ethylpiperidin-3-yl)sulfamoyl]butanoate
CID 61460228
N-(1-methylpiperidin-3-yl)propane-1-sulfonamide
CID 61384296
4-(aminomethyl)-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 61476754
2-amino-N-cyclohexylethanesulfonamide chloride
CID 53347795
2-amino-N-cyclopropylethanesulfonamide
CID 16787497
4-amino-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide
CID 61169182
2-amino-N-(3-ethylcyclohexyl)ethanesulfonamide
CID 64749798
N-(1-ethylpyrrolidin-3-yl)methanesulfonamide
CID 131150504
N-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide
CID 61478239
3-amino-N-(1-ethylpiperidin-3-yl)-5-methylbenzenesulfonamide
CID 61171917
N-(1-ethylpiperidin-3-yl)-2-hydroxybenzenesulfonamide
CID 81242229
ethane;N-(1-ethylpiperidin-3-yl)benzenesulfonamide;molecular hydrogen
CID 162749983

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-ethylpiperidin-3-yl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(1-ethylpiperidin-3-yl)ethanesulfonamide (CID 61476840) is 2-amino-N-(1-ethylpiperidin-3-yl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(1-ethylpiperidin-3-yl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(1-ethylpiperidin-3-yl)ethanesulfonamide is CCN1CCCC(NS(=O)(=O)CCN)C1.
What is the InChIKey of 2-amino-N-(1-ethylpiperidin-3-yl)ethanesulfonamide?
The InChIKey is LJBNAJJAUHDVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-2-12-6-3-4-9(8-12)11-15(13,14)7-5-10/h9,11H,2-8,10H2,1H3.
What are the key properties of 2-amino-N-(1-ethylpiperidin-3-yl)ethanesulfonamide?
2-amino-N-(1-ethylpiperidin-3-yl)ethanesulfonamide has a molecular weight of 235.35 g/mol, XLogP of -0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-ethylpiperidin-3-yl)ethanesulfonamide is sourced from PubChem (CID 61476840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).