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

C11H24N2O4S2 — CID 55173690

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylsulfonylethanesulfonamide
SMILESCC1CCC(CN)(NS(=O)(=O)CCS(C)(=O)=O)CC1
InChIInChI=1S/C11H24N2O4S2/c1-10-3-5-11(9-12,6-4-10)13-19(16,17)8-7-18(2,14)15/h10,13H,3-9,12H2,1-2H3
InChIKeyPPQKUYOSOVTXLH-UHFFFAOYSA-N
MW312.46 g/mol
LogP-0.14
Rot. Bonds6

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

N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylsulfonylethanesulfonamide (PubChem CID 55173690) has the molecular formula C11H24N2O4S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylsulfonylethanesulfonamide
PubChem CID55173690
Molecular FormulaC11H24N2O4S2
Molecular Weight312.46 g/mol
Exact Mass312.12
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylsulfonylethanesulfonamide
SMILESCC1CCC(CN)(NS(=O)(=O)CCS(C)(=O)=O)CC1
InChIInChI=1S/C11H24N2O4S2/c1-10-3-5-11(9-12,6-4-10)13-19(16,17)8-7-18(2,14)15/h10,13H,3-9,12H2,1-2H3
InChIKeyPPQKUYOSOVTXLH-UHFFFAOYSA-N
XLogP-0.14
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylsulfonylethanesulfonamide (CID 55173690) is N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylsulfonylethanesulfonamide is CC1CCC(CN)(NS(=O)(=O)CCS(C)(=O)=O)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylsulfonylethanesulfonamide?
The InChIKey is PPQKUYOSOVTXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S2/c1-10-3-5-11(9-12,6-4-10)13-19(16,17)8-7-18(2,14)15/h10,13H,3-9,12H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylsulfonylethanesulfonamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylsulfonylethanesulfonamide has a molecular weight of 312.46 g/mol, XLogP of -0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 55173690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).