6-[propan-2-yl(sulfamoyl)amino]-2-azaspiro[3.3]heptane

C9H19N3O2S — CID 163274951

IUPAC6-[propan-2-yl(sulfamoyl)amino]-2-azaspiro[3.3]heptane
SMILESCC(C)N(C1CC2(CNC2)C1)S(N)(=O)=O
InChIInChI=1S/C9H19N3O2S/c1-7(2)12(15(10,13)14)8-3-9(4-8)5-11-6-9/h7-8,11H,3-6H2,1-2H3,(H2,10,13,14)
InChIKeyGDKNTPXAWCOZBB-UHFFFAOYSA-N
MW233.34 g/mol
LogP-0.35
Rot. Bonds3

About 6-[propan-2-yl(sulfamoyl)amino]-2-azaspiro[3.3]heptane

6-[propan-2-yl(sulfamoyl)amino]-2-azaspiro[3.3]heptane (PubChem CID 163274951) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is 6-[propan-2-yl(sulfamoyl)amino]-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[propan-2-yl(sulfamoyl)amino]-2-azaspiro[3.3]heptane
PubChem CID163274951
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC Name6-[propan-2-yl(sulfamoyl)amino]-2-azaspiro[3.3]heptane
SMILESCC(C)N(C1CC2(CNC2)C1)S(N)(=O)=O
InChIInChI=1S/C9H19N3O2S/c1-7(2)12(15(10,13)14)8-3-9(4-8)5-11-6-9/h7-8,11H,3-6H2,1-2H3,(H2,10,13,14)
InChIKeyGDKNTPXAWCOZBB-UHFFFAOYSA-N
XLogP-0.35
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[propan-2-yl(sulfamoyl)amino]-2-azaspiro[3.3]heptane?
The IUPAC name of 6-[propan-2-yl(sulfamoyl)amino]-2-azaspiro[3.3]heptane (CID 163274951) is 6-[propan-2-yl(sulfamoyl)amino]-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[propan-2-yl(sulfamoyl)amino]-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-[propan-2-yl(sulfamoyl)amino]-2-azaspiro[3.3]heptane is CC(C)N(C1CC2(CNC2)C1)S(N)(=O)=O.
What is the InChIKey of 6-[propan-2-yl(sulfamoyl)amino]-2-azaspiro[3.3]heptane?
The InChIKey is GDKNTPXAWCOZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-7(2)12(15(10,13)14)8-3-9(4-8)5-11-6-9/h7-8,11H,3-6H2,1-2H3,(H2,10,13,14).
What are the key properties of 6-[propan-2-yl(sulfamoyl)amino]-2-azaspiro[3.3]heptane?
6-[propan-2-yl(sulfamoyl)amino]-2-azaspiro[3.3]heptane has a molecular weight of 233.34 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[propan-2-yl(sulfamoyl)amino]-2-azaspiro[3.3]heptane is sourced from PubChem (CID 163274951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).