N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)piperidine-1-sulfonamide

C12H23N3O3S — CID 66212320

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)piperidine-1-sulfonamide
SMILESNC1C2CCCOC2C1NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H23N3O3S/c13-10-9-5-4-8-18-12(9)11(10)14-19(16,17)15-6-2-1-3-7-15/h9-12,14H,1-8,13H2
InChIKeyHEKPOCAUNUZWGL-UHFFFAOYSA-N
MW289.40 g/mol
LogP-0.19
Rot. Bonds3

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)piperidine-1-sulfonamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)piperidine-1-sulfonamide (PubChem CID 66212320) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)piperidine-1-sulfonamide
PubChem CID66212320
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)piperidine-1-sulfonamide
SMILESNC1C2CCCOC2C1NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H23N3O3S/c13-10-9-5-4-8-18-12(9)11(10)14-19(16,17)15-6-2-1-3-7-15/h9-12,14H,1-8,13H2
InChIKeyHEKPOCAUNUZWGL-UHFFFAOYSA-N
XLogP-0.19
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)piperidine-1-sulfonamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)piperidine-1-sulfonamide (CID 66212320) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)piperidine-1-sulfonamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)piperidine-1-sulfonamide is NC1C2CCCOC2C1NS(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)piperidine-1-sulfonamide?
The InChIKey is HEKPOCAUNUZWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c13-10-9-5-4-8-18-12(9)11(10)14-19(16,17)15-6-2-1-3-7-15/h9-12,14H,1-8,13H2.
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)piperidine-1-sulfonamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)piperidine-1-sulfonamide has a molecular weight of 289.40 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 66212320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).