N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxyethanesulfonamide

C12H26N2O3S — CID 55009829

IUPACN-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxyethanesulfonamide
SMILESCCC1CCC(CN)(NS(=O)(=O)CCOC)CC1
InChIInChI=1S/C12H26N2O3S/c1-3-11-4-6-12(10-13,7-5-11)14-18(15,16)9-8-17-2/h11,14H,3-10,13H2,1-2H3
InChIKeyWQKPZOTVYATBQN-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.85
Rot. Bonds7

About N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxyethanesulfonamide

N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxyethanesulfonamide (PubChem CID 55009829) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxyethanesulfonamide
PubChem CID55009829
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxyethanesulfonamide
SMILESCCC1CCC(CN)(NS(=O)(=O)CCOC)CC1
InChIInChI=1S/C12H26N2O3S/c1-3-11-4-6-12(10-13,7-5-11)14-18(15,16)9-8-17-2/h11,14H,3-10,13H2,1-2H3
InChIKeyWQKPZOTVYATBQN-UHFFFAOYSA-N
XLogP0.85
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxyethanesulfonamide (CID 55009829) is N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxyethanesulfonamide is CCC1CCC(CN)(NS(=O)(=O)CCOC)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxyethanesulfonamide?
The InChIKey is WQKPZOTVYATBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-3-11-4-6-12(10-13,7-5-11)14-18(15,16)9-8-17-2/h11,14H,3-10,13H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxyethanesulfonamide?
N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxyethanesulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 55009829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).