7-amino-8-(dipropylsulfamoylamino)-2-oxabicyclo[4.2.0]octane

C13H27N3O3S — CID 66212326

IUPAC7-amino-8-(dipropylsulfamoylamino)-2-oxabicyclo[4.2.0]octane
SMILESCCCN(CCC)S(=O)(=O)NC1C(N)C2CCCOC21
InChIInChI=1S/C13H27N3O3S/c1-3-7-16(8-4-2)20(17,18)15-12-11(14)10-6-5-9-19-13(10)12/h10-13,15H,3-9,14H2,1-2H3
InChIKeyDMFRVMLDGWPZPW-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.45
Rot. Bonds7

About 7-amino-8-(dipropylsulfamoylamino)-2-oxabicyclo[4.2.0]octane

7-amino-8-(dipropylsulfamoylamino)-2-oxabicyclo[4.2.0]octane (PubChem CID 66212326) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is 7-amino-8-(dipropylsulfamoylamino)-2-oxabicyclo[4.2.0]octane.

Molecular Properties

Compound Name7-amino-8-(dipropylsulfamoylamino)-2-oxabicyclo[4.2.0]octane
PubChem CID66212326
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name7-amino-8-(dipropylsulfamoylamino)-2-oxabicyclo[4.2.0]octane
SMILESCCCN(CCC)S(=O)(=O)NC1C(N)C2CCCOC21
InChIInChI=1S/C13H27N3O3S/c1-3-7-16(8-4-2)20(17,18)15-12-11(14)10-6-5-9-19-13(10)12/h10-13,15H,3-9,14H2,1-2H3
InChIKeyDMFRVMLDGWPZPW-UHFFFAOYSA-N
XLogP0.45
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-amino-8-(dipropylsulfamoylamino)-2-oxabicyclo[4.2.0]octane with MolForge

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Related Compounds

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)propane-2-sulfonamide
CID 66211739
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-1-cyanomethanesulfonamide
CID 66212129
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)piperidine-1-sulfonamide
CID 66212320
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)methanesulfonamide
CID 66197692
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)-2-methylpentanamide
CID 66211720
[[2-aminoethyl(propyl)sulfamoyl]amino]cyclopropane
CID 114803733
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)-2-methylsulfonylpropanamide
CID 113422273
1-amino-3-(dipropylsulfamoylamino)cyclobutane
CID 43597733
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-cyanobenzenesulfonamide
CID 66210964

Frequently Asked Questions

What is the IUPAC name of 7-amino-8-(dipropylsulfamoylamino)-2-oxabicyclo[4.2.0]octane?
The IUPAC name of 7-amino-8-(dipropylsulfamoylamino)-2-oxabicyclo[4.2.0]octane (CID 66212326) is 7-amino-8-(dipropylsulfamoylamino)-2-oxabicyclo[4.2.0]octane.
What is the SMILES notation for 7-amino-8-(dipropylsulfamoylamino)-2-oxabicyclo[4.2.0]octane?
The canonical SMILES for 7-amino-8-(dipropylsulfamoylamino)-2-oxabicyclo[4.2.0]octane is CCCN(CCC)S(=O)(=O)NC1C(N)C2CCCOC21.
What is the InChIKey of 7-amino-8-(dipropylsulfamoylamino)-2-oxabicyclo[4.2.0]octane?
The InChIKey is DMFRVMLDGWPZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-3-7-16(8-4-2)20(17,18)15-12-11(14)10-6-5-9-19-13(10)12/h10-13,15H,3-9,14H2,1-2H3.
What are the key properties of 7-amino-8-(dipropylsulfamoylamino)-2-oxabicyclo[4.2.0]octane?
7-amino-8-(dipropylsulfamoylamino)-2-oxabicyclo[4.2.0]octane has a molecular weight of 305.44 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8-(dipropylsulfamoylamino)-2-oxabicyclo[4.2.0]octane is sourced from PubChem (CID 66212326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).