7-amino-8,8-dimethyl-N-propylsulfonyl-2-oxabicyclo[4.2.0]octane-7-carboxamide

C13H24N2O4S — CID 103307455

IUPAC7-amino-8,8-dimethyl-N-propylsulfonyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCCCS(=O)(=O)NC(=O)C1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C13H24N2O4S/c1-4-8-20(17,18)15-11(16)13(14)9-6-5-7-19-10(9)12(13,2)3/h9-10H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyQYUGSHCGIFCGLM-UHFFFAOYSA-N
MW304.41 g/mol
LogP0.37
Rot. Bonds4

About 7-amino-8,8-dimethyl-N-propylsulfonyl-2-oxabicyclo[4.2.0]octane-7-carboxamide

7-amino-8,8-dimethyl-N-propylsulfonyl-2-oxabicyclo[4.2.0]octane-7-carboxamide (PubChem CID 103307455) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is 7-amino-8,8-dimethyl-N-propylsulfonyl-2-oxabicyclo[4.2.0]octane-7-carboxamide.

Molecular Properties

Compound Name7-amino-8,8-dimethyl-N-propylsulfonyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
PubChem CID103307455
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name7-amino-8,8-dimethyl-N-propylsulfonyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCCCS(=O)(=O)NC(=O)C1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C13H24N2O4S/c1-4-8-20(17,18)15-11(16)13(14)9-6-5-7-19-10(9)12(13,2)3/h9-10H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyQYUGSHCGIFCGLM-UHFFFAOYSA-N
XLogP0.37
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-amino-N-(2-ethylsulfonylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 102611573
7-amino-N-cyclopentyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945025
N-(2-acetamidoethyl)-7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945398
7-amino-N-(2,2-difluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946451
7-amino-8,8-dimethyl-N-[2-(methylamino)-2-oxoethyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945312
7-amino-8,8-dimethyl-N-(1-methylpiperidin-4-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945326
7-amino-N-[(1S)-1-cyclopentylethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 104985278
7-amino-N-(2-cyclopentylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945528
7-amino-8,8-dimethyl-N-[(3-methylcyclopentyl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 107413186
7-amino-N-(4-methoxybutan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946189
7-amino-N-(1-hydroxypentan-3-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946739
7-amino-N-(3-hydroxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946216

Frequently Asked Questions

What is the IUPAC name of 7-amino-8,8-dimethyl-N-propylsulfonyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The IUPAC name of 7-amino-8,8-dimethyl-N-propylsulfonyl-2-oxabicyclo[4.2.0]octane-7-carboxamide (CID 103307455) is 7-amino-8,8-dimethyl-N-propylsulfonyl-2-oxabicyclo[4.2.0]octane-7-carboxamide.
What is the SMILES notation for 7-amino-8,8-dimethyl-N-propylsulfonyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The canonical SMILES for 7-amino-8,8-dimethyl-N-propylsulfonyl-2-oxabicyclo[4.2.0]octane-7-carboxamide is CCCS(=O)(=O)NC(=O)C1(N)C2CCCOC2C1(C)C.
What is the InChIKey of 7-amino-8,8-dimethyl-N-propylsulfonyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The InChIKey is QYUGSHCGIFCGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-4-8-20(17,18)15-11(16)13(14)9-6-5-7-19-10(9)12(13,2)3/h9-10H,4-8,14H2,1-3H3,(H,15,16).
What are the key properties of 7-amino-8,8-dimethyl-N-propylsulfonyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
7-amino-8,8-dimethyl-N-propylsulfonyl-2-oxabicyclo[4.2.0]octane-7-carboxamide has a molecular weight of 304.41 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8,8-dimethyl-N-propylsulfonyl-2-oxabicyclo[4.2.0]octane-7-carboxamide is sourced from PubChem (CID 103307455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).