N-[1-(aminomethyl)cyclooctyl]-2-methoxyethanesulfonamide

C12H26N2O3S — CID 55009780

IUPACN-[1-(aminomethyl)cyclooctyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC1(CN)CCCCCCC1
InChIInChI=1S/C12H26N2O3S/c1-17-9-10-18(15,16)14-12(11-13)7-5-3-2-4-6-8-12/h14H,2-11,13H2,1H3
InChIKeyYAXXRBRXESNLJJ-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.99
Rot. Bonds6

About N-[1-(aminomethyl)cyclooctyl]-2-methoxyethanesulfonamide

N-[1-(aminomethyl)cyclooctyl]-2-methoxyethanesulfonamide (PubChem CID 55009780) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclooctyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclooctyl]-2-methoxyethanesulfonamide
PubChem CID55009780
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-[1-(aminomethyl)cyclooctyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC1(CN)CCCCCCC1
InChIInChI=1S/C12H26N2O3S/c1-17-9-10-18(15,16)14-12(11-13)7-5-3-2-4-6-8-12/h14H,2-11,13H2,1H3
InChIKeyYAXXRBRXESNLJJ-UHFFFAOYSA-N
XLogP0.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclooctyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclooctyl]-2-methoxyethanesulfonamide (CID 55009780) is N-[1-(aminomethyl)cyclooctyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclooctyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclooctyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)NC1(CN)CCCCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclooctyl]-2-methoxyethanesulfonamide?
The InChIKey is YAXXRBRXESNLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-17-9-10-18(15,16)14-12(11-13)7-5-3-2-4-6-8-12/h14H,2-11,13H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclooctyl]-2-methoxyethanesulfonamide?
N-[1-(aminomethyl)cyclooctyl]-2-methoxyethanesulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclooctyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 55009780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).