N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylsulfonylpiperidin-4-amine

C14H28N2O3S — CID 64851324

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylsulfonylpiperidin-4-amine
SMILESCCOC1CC(NC2CCN(S(C)(=O)=O)CC2)C1(C)C
InChIInChI=1S/C14H28N2O3S/c1-5-19-13-10-12(14(13,2)3)15-11-6-8-16(9-7-11)20(4,17)18/h11-13,15H,5-10H2,1-4H3
InChIKeyOARXIYYVQATLRC-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.20
Rot. Bonds5

About N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylsulfonylpiperidin-4-amine

N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylsulfonylpiperidin-4-amine (PubChem CID 64851324) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylsulfonylpiperidin-4-amine
PubChem CID64851324
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylsulfonylpiperidin-4-amine
SMILESCCOC1CC(NC2CCN(S(C)(=O)=O)CC2)C1(C)C
InChIInChI=1S/C14H28N2O3S/c1-5-19-13-10-12(14(13,2)3)15-11-6-8-16(9-7-11)20(4,17)18/h11-13,15H,5-10H2,1-4H3
InChIKeyOARXIYYVQATLRC-UHFFFAOYSA-N
XLogP1.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylsulfonylpiperidin-4-amine (CID 64851324) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylsulfonylpiperidin-4-amine is CCOC1CC(NC2CCN(S(C)(=O)=O)CC2)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylsulfonylpiperidin-4-amine?
The InChIKey is OARXIYYVQATLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-5-19-13-10-12(14(13,2)3)15-11-6-8-16(9-7-11)20(4,17)18/h11-13,15H,5-10H2,1-4H3.
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylsulfonylpiperidin-4-amine?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylsulfonylpiperidin-4-amine has a molecular weight of 304.46 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 64851324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).