N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-methylsulfonylpiperidin-4-amine

C14H26N2O3S — CID 64862921

IUPACN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-methylsulfonylpiperidin-4-amine
SMILESCC1(C)C(NC2CCN(S(C)(=O)=O)CC2)C2CCOC21
InChIInChI=1S/C14H26N2O3S/c1-14(2)12(11-6-9-19-13(11)14)15-10-4-7-16(8-5-10)20(3,17)18/h10-13,15H,4-9H2,1-3H3
InChIKeyBHFDQLRSDJLTEO-UHFFFAOYSA-N
MW302.44 g/mol
LogP0.81
Rot. Bonds3

About N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-methylsulfonylpiperidin-4-amine

N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-methylsulfonylpiperidin-4-amine (PubChem CID 64862921) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-methylsulfonylpiperidin-4-amine
PubChem CID64862921
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-methylsulfonylpiperidin-4-amine
SMILESCC1(C)C(NC2CCN(S(C)(=O)=O)CC2)C2CCOC21
InChIInChI=1S/C14H26N2O3S/c1-14(2)12(11-6-9-19-13(11)14)15-10-4-7-16(8-5-10)20(3,17)18/h10-13,15H,4-9H2,1-3H3
InChIKeyBHFDQLRSDJLTEO-UHFFFAOYSA-N
XLogP0.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-methylsulfonylpiperidin-4-amine (CID 64862921) is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-methylsulfonylpiperidin-4-amine is CC1(C)C(NC2CCN(S(C)(=O)=O)CC2)C2CCOC21.
What is the InChIKey of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-methylsulfonylpiperidin-4-amine?
The InChIKey is BHFDQLRSDJLTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-14(2)12(11-6-9-19-13(11)14)15-10-4-7-16(8-5-10)20(3,17)18/h10-13,15H,4-9H2,1-3H3.
What are the key properties of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-methylsulfonylpiperidin-4-amine?
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-methylsulfonylpiperidin-4-amine has a molecular weight of 302.44 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 64862921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).