N-(3-azabicyclo[3.1.0]hexan-6-yl)oxane-4-sulfonamide

C10H18N2O3S — CID 62049954

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)oxane-4-sulfonamide
SMILESO=S(=O)(NC1C2CNCC21)C1CCOCC1
InChIInChI=1S/C10H18N2O3S/c13-16(14,7-1-3-15-4-2-7)12-10-8-5-11-6-9(8)10/h7-12H,1-6H2
InChIKeyVRLSIOQZDIXFGU-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.70
Rot. Bonds3

About N-(3-azabicyclo[3.1.0]hexan-6-yl)oxane-4-sulfonamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)oxane-4-sulfonamide (PubChem CID 62049954) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)oxane-4-sulfonamide
PubChem CID62049954
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)oxane-4-sulfonamide
SMILESO=S(=O)(NC1C2CNCC21)C1CCOCC1
InChIInChI=1S/C10H18N2O3S/c13-16(14,7-1-3-15-4-2-7)12-10-8-5-11-6-9(8)10/h7-12H,1-6H2
InChIKeyVRLSIOQZDIXFGU-UHFFFAOYSA-N
XLogP-0.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)oxane-4-sulfonamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)oxane-4-sulfonamide (CID 62049954) is N-(3-azabicyclo[3.1.0]hexan-6-yl)oxane-4-sulfonamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)oxane-4-sulfonamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)oxane-4-sulfonamide is O=S(=O)(NC1C2CNCC21)C1CCOCC1.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)oxane-4-sulfonamide?
The InChIKey is VRLSIOQZDIXFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c13-16(14,7-1-3-15-4-2-7)12-10-8-5-11-6-9(8)10/h7-12H,1-6H2.
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)oxane-4-sulfonamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)oxane-4-sulfonamide has a molecular weight of 246.33 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)oxane-4-sulfonamide is sourced from PubChem (CID 62049954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).