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

C10H20N2O3S — CID 66211739

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1C(N)C2CCCOC21
InChIInChI=1S/C10H20N2O3S/c1-6(2)16(13,14)12-9-8(11)7-4-3-5-15-10(7)9/h6-10,12H,3-5,11H2,1-2H3
InChIKeyLFWZZEYVEURGDX-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.18
Rot. Bonds3

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

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)propane-2-sulfonamide (PubChem CID 66211739) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)propane-2-sulfonamide
PubChem CID66211739
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1C(N)C2CCCOC21
InChIInChI=1S/C10H20N2O3S/c1-6(2)16(13,14)12-9-8(11)7-4-3-5-15-10(7)9/h6-10,12H,3-5,11H2,1-2H3
InChIKeyLFWZZEYVEURGDX-UHFFFAOYSA-N
XLogP-0.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-amino-8-(dipropylsulfamoylamino)-2-oxabicyclo[4.2.0]octane
CID 66212326
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)piperidine-1-sulfonamide
CID 66212320
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylsulfonylpropanamide
CID 113422273
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-1-cyanomethanesulfonamide
CID 66212129
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)methanesulfonamide
CID 66197692
methyl 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)sulfamoyl]butanoate
CID 66212712
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 66212908
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-cyanobenzenesulfonamide
CID 66210964
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpentanamide
CID 66211720
7-N-(ethylsulfamoyl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
CID 114811036
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-propylpentanamide
CID 82987244
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)oxolane-2-carboxamide
CID 66212695

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)propane-2-sulfonamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)propane-2-sulfonamide (CID 66211739) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)propane-2-sulfonamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC1C(N)C2CCCOC21.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)propane-2-sulfonamide?
The InChIKey is LFWZZEYVEURGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-6(2)16(13,14)12-9-8(11)7-4-3-5-15-10(7)9/h6-10,12H,3-5,11H2,1-2H3.
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)propane-2-sulfonamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)propane-2-sulfonamide has a molecular weight of 248.35 g/mol, XLogP of -0.18, 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)propane-2-sulfonamide is sourced from PubChem (CID 66211739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).