2-(piperidin-2-ylmethylamino)ethanesulfonamide

C8H19N3O2S — CID 106633143

IUPAC2-(piperidin-2-ylmethylamino)ethanesulfonamide
SMILESNS(=O)(=O)CCNCC1CCCCN1
InChIInChI=1S/C8H19N3O2S/c9-14(12,13)6-5-10-7-8-3-1-2-4-11-8/h8,10-11H,1-7H2,(H2,9,12,13)
InChIKeyODBITLLOVYYPRK-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.99
Rot. Bonds5

About 2-(piperidin-2-ylmethylamino)ethanesulfonamide

2-(piperidin-2-ylmethylamino)ethanesulfonamide (PubChem CID 106633143) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is 2-(piperidin-2-ylmethylamino)ethanesulfonamide.

Molecular Properties

Compound Name2-(piperidin-2-ylmethylamino)ethanesulfonamide
PubChem CID106633143
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name2-(piperidin-2-ylmethylamino)ethanesulfonamide
SMILESNS(=O)(=O)CCNCC1CCCCN1
InChIInChI=1S/C8H19N3O2S/c9-14(12,13)6-5-10-7-8-3-1-2-4-11-8/h8,10-11H,1-7H2,(H2,9,12,13)
InChIKeyODBITLLOVYYPRK-UHFFFAOYSA-N
XLogP-0.99
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(pyrrolidin-2-ylmethylamino)ethanesulfonamide
CID 106636953
2-methylsulfonyl-N-(piperidin-2-ylmethyl)ethanamine
CID 84686147
N-methyl-2-(piperidin-2-ylmethylamino)ethanesulfonamide
CID 106333681
2-cyclohexyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106633611
2-pyrrolidin-2-yl-N-(2-sulfamoylethyl)acetamide
CID 61371209
3-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106638054
3-(piperidin-2-ylmethylamino)propan-1-ol
CID 106633028
N'-fluoro-N-(piperidin-2-ylmethyl)butane-1,4-diamine
CID 174304939
N-(piperidin-2-ylmethyl)ethanamine
CID 11970483
1-cyclobutyl-N-(piperidin-2-ylmethyl)methanamine
CID 106633110
N-(cyclobutylmethyl)-2-piperidin-2-ylethanamine
CID 115211136
N-(azocan-2-ylmethyl)-2-(oxolan-2-yl)ethanamine
CID 114240359

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-2-ylmethylamino)ethanesulfonamide?
The IUPAC name of 2-(piperidin-2-ylmethylamino)ethanesulfonamide (CID 106633143) is 2-(piperidin-2-ylmethylamino)ethanesulfonamide.
What is the SMILES notation for 2-(piperidin-2-ylmethylamino)ethanesulfonamide?
The canonical SMILES for 2-(piperidin-2-ylmethylamino)ethanesulfonamide is NS(=O)(=O)CCNCC1CCCCN1.
What is the InChIKey of 2-(piperidin-2-ylmethylamino)ethanesulfonamide?
The InChIKey is ODBITLLOVYYPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c9-14(12,13)6-5-10-7-8-3-1-2-4-11-8/h8,10-11H,1-7H2,(H2,9,12,13).
What are the key properties of 2-(piperidin-2-ylmethylamino)ethanesulfonamide?
2-(piperidin-2-ylmethylamino)ethanesulfonamide has a molecular weight of 221.33 g/mol, XLogP of -0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-2-ylmethylamino)ethanesulfonamide is sourced from PubChem (CID 106633143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).