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

C11H24N2O3S — CID 55009782

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC1(CN)CCC(C)CC1
InChIInChI=1S/C11H24N2O3S/c1-10-3-5-11(9-12,6-4-10)13-17(14,15)8-7-16-2/h10,13H,3-9,12H2,1-2H3
InChIKeyGVJMBLIUOOOFAR-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.46
Rot. Bonds6

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

N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methoxyethanesulfonamide (PubChem CID 55009782) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]-2-methoxyethanesulfonamide
PubChem CID55009782
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC1(CN)CCC(C)CC1
InChIInChI=1S/C11H24N2O3S/c1-10-3-5-11(9-12,6-4-10)13-17(14,15)8-7-16-2/h10,13H,3-9,12H2,1-2H3
InChIKeyGVJMBLIUOOOFAR-UHFFFAOYSA-N
XLogP0.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.46
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-methylcyclohexyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methoxyethanesulfonamide (CID 55009782) is N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)NC1(CN)CCC(C)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methoxyethanesulfonamide?
The InChIKey is GVJMBLIUOOOFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-10-3-5-11(9-12,6-4-10)13-17(14,15)8-7-16-2/h10,13H,3-9,12H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methoxyethanesulfonamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methoxyethanesulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 55009782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).