8,8-dimethyl-N-(4-methylsulfinylbutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine

C14H27NO2S — CID 113352229

IUPAC8,8-dimethyl-N-(4-methylsulfinylbutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC(CCS(C)=O)NC1C2CCCOC2C1(C)C
InChIInChI=1S/C14H27NO2S/c1-10(7-9-18(4)16)15-12-11-6-5-8-17-13(11)14(12,2)3/h10-13,15H,5-9H2,1-4H3
InChIKeyFDGUAAZQEOGZIP-UHFFFAOYSA-N
MW273.44 g/mol
LogP1.94
Rot. Bonds5

About 8,8-dimethyl-N-(4-methylsulfinylbutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine

8,8-dimethyl-N-(4-methylsulfinylbutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 113352229) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is 8,8-dimethyl-N-(4-methylsulfinylbutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name8,8-dimethyl-N-(4-methylsulfinylbutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID113352229
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name8,8-dimethyl-N-(4-methylsulfinylbutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC(CCS(C)=O)NC1C2CCCOC2C1(C)C
InChIInChI=1S/C14H27NO2S/c1-10(7-9-18(4)16)15-12-11-6-5-8-17-13(11)14(12,2)3/h10-13,15H,5-9H2,1-4H3
InChIKeyFDGUAAZQEOGZIP-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8,8-dimethyl-N-(4-methylsulfinylbutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]propan-1-ol
CID 114987247
N-(1-cyclopropylpropan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64862875
(3R)-3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]butan-1-ol
CID 103921775
2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-1-ol
CID 64864462
N-hexan-2-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863914
N-[(1S)-1-cycloheptylethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 81390910
8,8-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863052
N-[1-(2-chlorophenyl)propan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64865167
7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 115906316
7,7-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864093
N-[(1R)-1-(furan-2-yl)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 81402535
8,8-dimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64865555

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-N-(4-methylsulfinylbutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 8,8-dimethyl-N-(4-methylsulfinylbutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine (CID 113352229) is 8,8-dimethyl-N-(4-methylsulfinylbutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 8,8-dimethyl-N-(4-methylsulfinylbutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 8,8-dimethyl-N-(4-methylsulfinylbutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine is CC(CCS(C)=O)NC1C2CCCOC2C1(C)C.
What is the InChIKey of 8,8-dimethyl-N-(4-methylsulfinylbutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is FDGUAAZQEOGZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-10(7-9-18(4)16)15-12-11-6-5-8-17-13(11)14(12,2)3/h10-13,15H,5-9H2,1-4H3.
What are the key properties of 8,8-dimethyl-N-(4-methylsulfinylbutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine?
8,8-dimethyl-N-(4-methylsulfinylbutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 273.44 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-N-(4-methylsulfinylbutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 113352229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).