N-[4-(methylaminomethoxy)cyclohexyl]methanesulfonamide

C9H20N2O3S — CID 59156630

IUPACN-[4-(methylaminomethoxy)cyclohexyl]methanesulfonamide
SMILESCNCOC1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C9H20N2O3S/c1-10-7-14-9-5-3-8(4-6-9)11-15(2,12)13/h8-11H,3-7H2,1-2H3
InChIKeyPALSRTZATDFDQL-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.04
Rot. Bonds5

About N-[4-(methylaminomethoxy)cyclohexyl]methanesulfonamide

N-[4-(methylaminomethoxy)cyclohexyl]methanesulfonamide (PubChem CID 59156630) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[4-(methylaminomethoxy)cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(methylaminomethoxy)cyclohexyl]methanesulfonamide
PubChem CID59156630
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-[4-(methylaminomethoxy)cyclohexyl]methanesulfonamide
SMILESCNCOC1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C9H20N2O3S/c1-10-7-14-9-5-3-8(4-6-9)11-15(2,12)13/h8-11H,3-7H2,1-2H3
InChIKeyPALSRTZATDFDQL-UHFFFAOYSA-N
XLogP0.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methylaminomethoxy)cyclohexyl]methanesulfonamide?
The IUPAC name of N-[4-(methylaminomethoxy)cyclohexyl]methanesulfonamide (CID 59156630) is N-[4-(methylaminomethoxy)cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[4-(methylaminomethoxy)cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[4-(methylaminomethoxy)cyclohexyl]methanesulfonamide is CNCOC1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of N-[4-(methylaminomethoxy)cyclohexyl]methanesulfonamide?
The InChIKey is PALSRTZATDFDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-10-7-14-9-5-3-8(4-6-9)11-15(2,12)13/h8-11H,3-7H2,1-2H3.
What are the key properties of N-[4-(methylaminomethoxy)cyclohexyl]methanesulfonamide?
N-[4-(methylaminomethoxy)cyclohexyl]methanesulfonamide has a molecular weight of 236.34 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylaminomethoxy)cyclohexyl]methanesulfonamide is sourced from PubChem (CID 59156630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).