N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,6-dimethylmorpholine-4-sulfonamide

C14H28N2O4S — CID 62525311

IUPACN-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC1CCC(CO)(NS(=O)(=O)N2CC(C)OC(C)C2)CC1
InChIInChI=1S/C14H28N2O4S/c1-11-4-6-14(10-17,7-5-11)15-21(18,19)16-8-12(2)20-13(3)9-16/h11-13,15,17H,4-10H2,1-3H3
InChIKeyKPFJXOFIFMDFDW-UHFFFAOYSA-N
MW320.45 g/mol
LogP0.87
Rot. Bonds4

About N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,6-dimethylmorpholine-4-sulfonamide

N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 62525311) has the molecular formula C14H28N2O4S and a molecular weight of 320.45 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID62525311
Molecular FormulaC14H28N2O4S
Molecular Weight320.45 g/mol
Exact Mass320.18
IUPAC NameN-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC1CCC(CO)(NS(=O)(=O)N2CC(C)OC(C)C2)CC1
InChIInChI=1S/C14H28N2O4S/c1-11-4-6-14(10-17,7-5-11)15-21(18,19)16-8-12(2)20-13(3)9-16/h11-13,15,17H,4-10H2,1-3H3
InChIKeyKPFJXOFIFMDFDW-UHFFFAOYSA-N
XLogP0.87
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,6-dimethylmorpholine-4-sulfonamide (CID 62525311) is N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,6-dimethylmorpholine-4-sulfonamide is CC1CCC(CO)(NS(=O)(=O)N2CC(C)OC(C)C2)CC1.
What is the InChIKey of N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is KPFJXOFIFMDFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-11-4-6-14(10-17,7-5-11)15-21(18,19)16-8-12(2)20-13(3)9-16/h11-13,15,17H,4-10H2,1-3H3.
What are the key properties of N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,6-dimethylmorpholine-4-sulfonamide?
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 320.45 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 62525311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).