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

C13H24N2O3S — CID 114946736

IUPAC6-amino-N-(2-ethylsulfinylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCCS(=O)CCNC(=O)C1(N)C2CCOC2C1(C)C
InChIInChI=1S/C13H24N2O3S/c1-4-19(17)8-6-15-11(16)13(14)9-5-7-18-10(9)12(13,2)3/h9-10H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyUSVPZOHCUXCMLA-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.01
Rot. Bonds5

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

6-amino-N-(2-ethylsulfinylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 114946736) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 6-amino-N-(2-ethylsulfinylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2-ethylsulfinylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID114946736
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name6-amino-N-(2-ethylsulfinylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCCS(=O)CCNC(=O)C1(N)C2CCOC2C1(C)C
InChIInChI=1S/C13H24N2O3S/c1-4-19(17)8-6-15-11(16)13(14)9-5-7-18-10(9)12(13,2)3/h9-10H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyUSVPZOHCUXCMLA-UHFFFAOYSA-N
XLogP0.01
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

ethyl 3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]propanoate
CID 114945907
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
6-amino-N-[3-(diethylamino)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945130
6-amino-N-[2-(methanesulfonamido)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945393
6-amino-7,7-dimethyl-N-[2-(methylsulfamoyl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 106336925
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-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
3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 114946454
N-(2-acetamidoethyl)-7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945398

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-ethylsulfinylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-N-(2-ethylsulfinylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 114946736) is 6-amino-N-(2-ethylsulfinylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-N-(2-ethylsulfinylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-N-(2-ethylsulfinylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is CCS(=O)CCNC(=O)C1(N)C2CCOC2C1(C)C.
What is the InChIKey of 6-amino-N-(2-ethylsulfinylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is USVPZOHCUXCMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-4-19(17)8-6-15-11(16)13(14)9-5-7-18-10(9)12(13,2)3/h9-10H,4-8,14H2,1-3H3,(H,15,16).
What are the key properties of 6-amino-N-(2-ethylsulfinylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-N-(2-ethylsulfinylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 288.41 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-ethylsulfinylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 114946736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).