N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide

C15H28N2O3S — CID 51330533

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NC(C)C2CC3CCC2C3)CC(C)O1
InChIInChI=1S/C15H28N2O3S/c1-10-8-17(9-11(2)20-10)21(18,19)16-12(3)15-7-13-4-5-14(15)6-13/h10-16H,4-9H2,1-3H3
InChIKeyLELMDELAXUIBFY-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.75
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 51330533) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID51330533
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NC(C)C2CC3CCC2C3)CC(C)O1
InChIInChI=1S/C15H28N2O3S/c1-10-8-17(9-11(2)20-10)21(18,19)16-12(3)15-7-13-4-5-14(15)6-13/h10-16H,4-9H2,1-3H3
InChIKeyLELMDELAXUIBFY-UHFFFAOYSA-N
XLogP1.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide (CID 51330533) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide is CC1CN(S(=O)(=O)NC(C)C2CC3CCC2C3)CC(C)O1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is LELMDELAXUIBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-10-8-17(9-11(2)20-10)21(18,19)16-12(3)15-7-13-4-5-14(15)6-13/h10-16H,4-9H2,1-3H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 316.47 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 51330533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).