N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine

C14H25NO2S — CID 84594388

IUPACN-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCCS(=O)(=O)CCNC1CC2CC1C1CCCC21
InChIInChI=1S/C14H25NO2S/c1-2-18(16,17)7-6-15-14-9-10-8-13(14)12-5-3-4-11(10)12/h10-15H,2-9H2,1H3
InChIKeyMZVJHTPKRWYCOF-UHFFFAOYSA-N
MW271.43 g/mol
LogP1.84
Rot. Bonds5

About N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine

N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 84594388) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID84594388
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC NameN-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCCS(=O)(=O)CCNC1CC2CC1C1CCCC21
InChIInChI=1S/C14H25NO2S/c1-2-18(16,17)7-6-15-14-9-10-8-13(14)12-5-3-4-11(10)12/h10-15H,2-9H2,1H3
InChIKeyMZVJHTPKRWYCOF-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 84594388) is N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine is CCS(=O)(=O)CCNC1CC2CC1C1CCCC21.
What is the InChIKey of N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is MZVJHTPKRWYCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-2-18(16,17)7-6-15-14-9-10-8-13(14)12-5-3-4-11(10)12/h10-15H,2-9H2,1H3.
What are the key properties of N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine?
N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 271.43 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 84594388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).