7-amino-N-(2-ethylsulfonylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide

C14H26N2O4S — CID 102611573

IUPAC7-amino-N-(2-ethylsulfonylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCCS(=O)(=O)CCNC(=O)C1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C14H26N2O4S/c1-4-21(18,19)9-7-16-12(17)14(15)10-6-5-8-20-11(10)13(14,2)3/h10-11H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyAQDQIKAMLZJASG-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.07
Rot. Bonds5

About 7-amino-N-(2-ethylsulfonylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide

7-amino-N-(2-ethylsulfonylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide (PubChem CID 102611573) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is 7-amino-N-(2-ethylsulfonylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide.

Molecular Properties

Compound Name7-amino-N-(2-ethylsulfonylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
PubChem CID102611573
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name7-amino-N-(2-ethylsulfonylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCCS(=O)(=O)CCNC(=O)C1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C14H26N2O4S/c1-4-21(18,19)9-7-16-12(17)14(15)10-6-5-8-20-11(10)13(14,2)3/h10-11H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyAQDQIKAMLZJASG-UHFFFAOYSA-N
XLogP0.07
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetamidoethyl)-7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945398
7-amino-N-(2-cyclopentylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945528
7-amino-8,8-dimethyl-N-propylsulfonyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 103307455
6-amino-7,7-dimethyl-N-[2-(methylsulfamoyl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 106336925
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
6-amino-N-[2-(methanesulfonamido)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945393
7-amino-8,8-dimethyl-N-(2-prop-2-ynylsulfanylethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 106427671
7-amino-N-(3-hydroxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946216
7-amino-N-(2-cyclopropylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946645
7-amino-N-(2-ethyl-4-hydroxybutyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946388
6-amino-N-(2-cyclobutylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946658

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2-ethylsulfonylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The IUPAC name of 7-amino-N-(2-ethylsulfonylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide (CID 102611573) is 7-amino-N-(2-ethylsulfonylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide.
What is the SMILES notation for 7-amino-N-(2-ethylsulfonylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The canonical SMILES for 7-amino-N-(2-ethylsulfonylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide is CCS(=O)(=O)CCNC(=O)C1(N)C2CCCOC2C1(C)C.
What is the InChIKey of 7-amino-N-(2-ethylsulfonylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The InChIKey is AQDQIKAMLZJASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-4-21(18,19)9-7-16-12(17)14(15)10-6-5-8-20-11(10)13(14,2)3/h10-11H,4-9,15H2,1-3H3,(H,16,17).
What are the key properties of 7-amino-N-(2-ethylsulfonylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
7-amino-N-(2-ethylsulfonylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-ethylsulfonylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide is sourced from PubChem (CID 102611573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).