N-[(1-aminocyclohexyl)methyl]-2,6-dimethylmorpholine-4-sulfonamide

C13H27N3O3S — CID 43598200

IUPACN-[(1-aminocyclohexyl)methyl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NCC2(N)CCCCC2)CC(C)O1
InChIInChI=1S/C13H27N3O3S/c1-11-8-16(9-12(2)19-11)20(17,18)15-10-13(14)6-4-3-5-7-13/h11-12,15H,3-10,14H2,1-2H3
InChIKeyUAHTXVUZSVYIRG-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.59
Rot. Bonds4

About N-[(1-aminocyclohexyl)methyl]-2,6-dimethylmorpholine-4-sulfonamide

N-[(1-aminocyclohexyl)methyl]-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 43598200) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID43598200
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC NameN-[(1-aminocyclohexyl)methyl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NCC2(N)CCCCC2)CC(C)O1
InChIInChI=1S/C13H27N3O3S/c1-11-8-16(9-12(2)19-11)20(17,18)15-10-13(14)6-4-3-5-7-13/h11-12,15H,3-10,14H2,1-2H3
InChIKeyUAHTXVUZSVYIRG-UHFFFAOYSA-N
XLogP0.59
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-aminocyclohexyl)methyl]-2,6-dimethylmorpholine-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-2,6-dimethylmorpholine-4-sulfonamide (CID 43598200) is N-[(1-aminocyclohexyl)methyl]-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-2,6-dimethylmorpholine-4-sulfonamide is CC1CN(S(=O)(=O)NCC2(N)CCCCC2)CC(C)O1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is UAHTXVUZSVYIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-11-8-16(9-12(2)19-11)20(17,18)15-10-13(14)6-4-3-5-7-13/h11-12,15H,3-10,14H2,1-2H3.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-2,6-dimethylmorpholine-4-sulfonamide?
N-[(1-aminocyclohexyl)methyl]-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 305.44 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 43598200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).