6-amino-7,7-dimethyl-N-[2-(methylsulfamoyl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C12H23N3O4S — CID 106336925

IUPAC6-amino-7,7-dimethyl-N-[2-(methylsulfamoyl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)C1(N)C2CCOC2C1(C)C
InChIInChI=1S/C12H23N3O4S/c1-11(2)9-8(4-6-19-9)12(11,13)10(16)15-5-7-20(17,18)14-3/h8-9,14H,4-7,13H2,1-3H3,(H,15,16)
InChIKeyZZYIPWMTMGRQPI-UHFFFAOYSA-N
MW305.40 g/mol
LogP-1.21
Rot. Bonds5

About 6-amino-7,7-dimethyl-N-[2-(methylsulfamoyl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-7,7-dimethyl-N-[2-(methylsulfamoyl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 106336925) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is 6-amino-7,7-dimethyl-N-[2-(methylsulfamoyl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-7,7-dimethyl-N-[2-(methylsulfamoyl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID106336925
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC Name6-amino-7,7-dimethyl-N-[2-(methylsulfamoyl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)C1(N)C2CCOC2C1(C)C
InChIInChI=1S/C12H23N3O4S/c1-11(2)9-8(4-6-19-9)12(11,13)10(16)15-5-7-20(17,18)14-3/h8-9,14H,4-7,13H2,1-3H3,(H,15,16)
InChIKeyZZYIPWMTMGRQPI-UHFFFAOYSA-N
XLogP-1.21
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-amino-7,7-dimethyl-N-[2-(methylsulfamoyl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide with MolForge

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Related Compounds

6-amino-N-[2-(methanesulfonamido)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945393
7-amino-N-(2-ethylsulfonylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 102611573
4-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]butanoic acid
CID 114945668
6-amino-N-(2-cyclobutylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946658
ethyl 3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]propanoate
CID 114945907
6-amino-N-(2-ethylsulfinylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946736
6-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]hexanoic acid
CID 114945669
6-amino-N-(cyanomethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945766
6-amino-7,7-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 106047612
6-amino-N-[3-(diethylamino)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945130
6-amino-N-[3-(2-methoxyethoxy)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945737
6-amino-N-(5-hydroxy-4-methylpentyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 106161204

Frequently Asked Questions

What is the IUPAC name of 6-amino-7,7-dimethyl-N-[2-(methylsulfamoyl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-7,7-dimethyl-N-[2-(methylsulfamoyl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 106336925) is 6-amino-7,7-dimethyl-N-[2-(methylsulfamoyl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-7,7-dimethyl-N-[2-(methylsulfamoyl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-7,7-dimethyl-N-[2-(methylsulfamoyl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide is CNS(=O)(=O)CCNC(=O)C1(N)C2CCOC2C1(C)C.
What is the InChIKey of 6-amino-7,7-dimethyl-N-[2-(methylsulfamoyl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is ZZYIPWMTMGRQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-11(2)9-8(4-6-19-9)12(11,13)10(16)15-5-7-20(17,18)14-3/h8-9,14H,4-7,13H2,1-3H3,(H,15,16).
What are the key properties of 6-amino-7,7-dimethyl-N-[2-(methylsulfamoyl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-7,7-dimethyl-N-[2-(methylsulfamoyl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 305.40 g/mol, XLogP of -1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7,7-dimethyl-N-[2-(methylsulfamoyl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 106336925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).