N-ethyl-N-[3-[(1-hydroxycyclohexyl)methylamino]propyl]methanesulfonamide

C13H28N2O3S — CID 54903394

IUPACN-ethyl-N-[3-[(1-hydroxycyclohexyl)methylamino]propyl]methanesulfonamide
SMILESCCN(CCCNCC1(O)CCCCC1)S(C)(=O)=O
InChIInChI=1S/C13H28N2O3S/c1-3-15(19(2,17)18)11-7-10-14-12-13(16)8-5-4-6-9-13/h14,16H,3-12H2,1-2H3
InChIKeyJKGPXNAJULFODK-UHFFFAOYSA-N
MW292.44 g/mol
LogP0.94
Rot. Bonds8

About N-ethyl-N-[3-[(1-hydroxycyclohexyl)methylamino]propyl]methanesulfonamide

N-ethyl-N-[3-[(1-hydroxycyclohexyl)methylamino]propyl]methanesulfonamide (PubChem CID 54903394) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is N-ethyl-N-[3-[(1-hydroxycyclohexyl)methylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[(1-hydroxycyclohexyl)methylamino]propyl]methanesulfonamide
PubChem CID54903394
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC NameN-ethyl-N-[3-[(1-hydroxycyclohexyl)methylamino]propyl]methanesulfonamide
SMILESCCN(CCCNCC1(O)CCCCC1)S(C)(=O)=O
InChIInChI=1S/C13H28N2O3S/c1-3-15(19(2,17)18)11-7-10-14-12-13(16)8-5-4-6-9-13/h14,16H,3-12H2,1-2H3
InChIKeyJKGPXNAJULFODK-UHFFFAOYSA-N
XLogP0.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-ethyl-N-[3-[(1-hydroxycyclohexyl)methylamino]propyl]methanesulfonamide 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-ethyl-N-[3-[(1-hydroxycyclohexyl)methylamino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[(1-hydroxycyclohexyl)methylamino]propyl]methanesulfonamide (CID 54903394) is N-ethyl-N-[3-[(1-hydroxycyclohexyl)methylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[(1-hydroxycyclohexyl)methylamino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[(1-hydroxycyclohexyl)methylamino]propyl]methanesulfonamide is CCN(CCCNCC1(O)CCCCC1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-[(1-hydroxycyclohexyl)methylamino]propyl]methanesulfonamide?
The InChIKey is JKGPXNAJULFODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-3-15(19(2,17)18)11-7-10-14-12-13(16)8-5-4-6-9-13/h14,16H,3-12H2,1-2H3.
What are the key properties of N-ethyl-N-[3-[(1-hydroxycyclohexyl)methylamino]propyl]methanesulfonamide?
N-ethyl-N-[3-[(1-hydroxycyclohexyl)methylamino]propyl]methanesulfonamide has a molecular weight of 292.44 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[(1-hydroxycyclohexyl)methylamino]propyl]methanesulfonamide is sourced from PubChem (CID 54903394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).