N-ethyl-N-[3-[(2-methoxycyclohexyl)amino]propyl]methanesulfonamide

C13H28N2O3S — CID 54903060

IUPACN-ethyl-N-[3-[(2-methoxycyclohexyl)amino]propyl]methanesulfonamide
SMILESCCN(CCCNC1CCCCC1OC)S(C)(=O)=O
InChIInChI=1S/C13H28N2O3S/c1-4-15(19(3,16)17)11-7-10-14-12-8-5-6-9-13(12)18-2/h12-14H,4-11H2,1-3H3
InChIKeyWMYLZJPDWUMYLC-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.21
Rot. Bonds8

About N-ethyl-N-[3-[(2-methoxycyclohexyl)amino]propyl]methanesulfonamide

N-ethyl-N-[3-[(2-methoxycyclohexyl)amino]propyl]methanesulfonamide (PubChem CID 54903060) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is N-ethyl-N-[3-[(2-methoxycyclohexyl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[(2-methoxycyclohexyl)amino]propyl]methanesulfonamide
PubChem CID54903060
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC NameN-ethyl-N-[3-[(2-methoxycyclohexyl)amino]propyl]methanesulfonamide
SMILESCCN(CCCNC1CCCCC1OC)S(C)(=O)=O
InChIInChI=1S/C13H28N2O3S/c1-4-15(19(3,16)17)11-7-10-14-12-8-5-6-9-13(12)18-2/h12-14H,4-11H2,1-3H3
InChIKeyWMYLZJPDWUMYLC-UHFFFAOYSA-N
XLogP1.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[(2-methoxycyclohexyl)amino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[(2-methoxycyclohexyl)amino]propyl]methanesulfonamide (CID 54903060) is N-ethyl-N-[3-[(2-methoxycyclohexyl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[(2-methoxycyclohexyl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[(2-methoxycyclohexyl)amino]propyl]methanesulfonamide is CCN(CCCNC1CCCCC1OC)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-[(2-methoxycyclohexyl)amino]propyl]methanesulfonamide?
The InChIKey is WMYLZJPDWUMYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-4-15(19(3,16)17)11-7-10-14-12-8-5-6-9-13(12)18-2/h12-14H,4-11H2,1-3H3.
What are the key properties of N-ethyl-N-[3-[(2-methoxycyclohexyl)amino]propyl]methanesulfonamide?
N-ethyl-N-[3-[(2-methoxycyclohexyl)amino]propyl]methanesulfonamide has a molecular weight of 292.44 g/mol, XLogP of 1.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[(2-methoxycyclohexyl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 54903060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).