1-amino-4-(dimethylsulfamoylamino)bicyclo[2.2.2]octane

C10H21N3O2S — CID 59559738

IUPAC1-amino-4-(dimethylsulfamoylamino)bicyclo[2.2.2]octane
SMILESCN(C)S(=O)(=O)NC12CCC(N)(CC1)CC2
InChIInChI=1S/C10H21N3O2S/c1-13(2)16(14,15)12-10-6-3-9(11,4-7-10)5-8-10/h12H,3-8,11H2,1-2H3
InChIKeyJGFRTKNWEUCDIJ-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.19
Rot. Bonds3

About 1-amino-4-(dimethylsulfamoylamino)bicyclo[2.2.2]octane

1-amino-4-(dimethylsulfamoylamino)bicyclo[2.2.2]octane (PubChem CID 59559738) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-amino-4-(dimethylsulfamoylamino)bicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-amino-4-(dimethylsulfamoylamino)bicyclo[2.2.2]octane
PubChem CID59559738
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name1-amino-4-(dimethylsulfamoylamino)bicyclo[2.2.2]octane
SMILESCN(C)S(=O)(=O)NC12CCC(N)(CC1)CC2
InChIInChI=1S/C10H21N3O2S/c1-13(2)16(14,15)12-10-6-3-9(11,4-7-10)5-8-10/h12H,3-8,11H2,1-2H3
InChIKeyJGFRTKNWEUCDIJ-UHFFFAOYSA-N
XLogP0.19
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(dimethylsulfamoylamino)bicyclo[2.2.2]octane?
The IUPAC name of 1-amino-4-(dimethylsulfamoylamino)bicyclo[2.2.2]octane (CID 59559738) is 1-amino-4-(dimethylsulfamoylamino)bicyclo[2.2.2]octane.
What is the SMILES notation for 1-amino-4-(dimethylsulfamoylamino)bicyclo[2.2.2]octane?
The canonical SMILES for 1-amino-4-(dimethylsulfamoylamino)bicyclo[2.2.2]octane is CN(C)S(=O)(=O)NC12CCC(N)(CC1)CC2.
What is the InChIKey of 1-amino-4-(dimethylsulfamoylamino)bicyclo[2.2.2]octane?
The InChIKey is JGFRTKNWEUCDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-13(2)16(14,15)12-10-6-3-9(11,4-7-10)5-8-10/h12H,3-8,11H2,1-2H3.
What are the key properties of 1-amino-4-(dimethylsulfamoylamino)bicyclo[2.2.2]octane?
1-amino-4-(dimethylsulfamoylamino)bicyclo[2.2.2]octane has a molecular weight of 247.36 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(dimethylsulfamoylamino)bicyclo[2.2.2]octane is sourced from PubChem (CID 59559738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).