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

C15H30N2O3S — CID 64852873

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-1-ethylsulfonylpiperidin-4-amine
SMILESCCOC1CC(NC2CCN(S(=O)(=O)CC)CC2)C1(C)C
InChIInChI=1S/C15H30N2O3S/c1-5-20-14-11-13(15(14,3)4)16-12-7-9-17(10-8-12)21(18,19)6-2/h12-14,16H,5-11H2,1-4H3
InChIKeyDLUDAELZBVDTPY-UHFFFAOYSA-N
MW318.48 g/mol
LogP1.59
Rot. Bonds6

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

N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-ethylsulfonylpiperidin-4-amine (PubChem CID 64852873) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-ethylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-1-ethylsulfonylpiperidin-4-amine
PubChem CID64852873
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-1-ethylsulfonylpiperidin-4-amine
SMILESCCOC1CC(NC2CCN(S(=O)(=O)CC)CC2)C1(C)C
InChIInChI=1S/C15H30N2O3S/c1-5-20-14-11-13(15(14,3)4)16-12-7-9-17(10-8-12)21(18,19)6-2/h12-14,16H,5-11H2,1-4H3
InChIKeyDLUDAELZBVDTPY-UHFFFAOYSA-N
XLogP1.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.59
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-ethylsulfonylpiperidin-4-amine?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-ethylsulfonylpiperidin-4-amine (CID 64852873) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-ethylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-ethylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-ethylsulfonylpiperidin-4-amine is CCOC1CC(NC2CCN(S(=O)(=O)CC)CC2)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-ethylsulfonylpiperidin-4-amine?
The InChIKey is DLUDAELZBVDTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-5-20-14-11-13(15(14,3)4)16-12-7-9-17(10-8-12)21(18,19)6-2/h12-14,16H,5-11H2,1-4H3.
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-ethylsulfonylpiperidin-4-amine?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-ethylsulfonylpiperidin-4-amine has a molecular weight of 318.48 g/mol, XLogP of 1.59, 6 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-ethylsulfonylpiperidin-4-amine is sourced from PubChem (CID 64852873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).