N-[2-(methylamino)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride

C9H20ClN3O2S — CID 119973261

IUPACN-[2-(methylamino)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride
SMILESCNCCNS(=O)(=O)N1CC2CCC1C2.Cl
InChIInChI=1S/C9H19N3O2S.ClH/c1-10-4-5-11-15(13,14)12-7-8-2-3-9(12)6-8;/h8-11H,2-7H2,1H3;1H
InChIKeyGFEYWLZXZDSISK-UHFFFAOYSA-N
MW269.80 g/mol
LogP-0.05
Rot. Bonds5

About N-[2-(methylamino)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride

N-[2-(methylamino)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride (PubChem CID 119973261) has the molecular formula C9H20ClN3O2S and a molecular weight of 269.80 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride
PubChem CID119973261
Molecular FormulaC9H20ClN3O2S
Molecular Weight269.80 g/mol
Exact Mass269.10
IUPAC NameN-[2-(methylamino)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride
SMILESCNCCNS(=O)(=O)N1CC2CCC1C2.Cl
InChIInChI=1S/C9H19N3O2S.ClH/c1-10-4-5-11-15(13,14)12-7-8-2-3-9(12)6-8;/h8-11H,2-7H2,1H3;1H
InChIKeyGFEYWLZXZDSISK-UHFFFAOYSA-N
XLogP-0.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride (CID 119973261) is N-[2-(methylamino)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride is CNCCNS(=O)(=O)N1CC2CCC1C2.Cl.
What is the InChIKey of N-[2-(methylamino)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride?
The InChIKey is GFEYWLZXZDSISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S.ClH/c1-10-4-5-11-15(13,14)12-7-8-2-3-9(12)6-8;/h8-11H,2-7H2,1H3;1H.
What are the key properties of N-[2-(methylamino)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride?
N-[2-(methylamino)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride has a molecular weight of 269.80 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119973261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).