N-[1-(aminomethyl)cyclohexyl]-N-ethyl-3-methoxypropane-1-sulfonamide

C13H28N2O3S — CID 55172685

IUPACN-[1-(aminomethyl)cyclohexyl]-N-ethyl-3-methoxypropane-1-sulfonamide
SMILESCCN(C1(CN)CCCCC1)S(=O)(=O)CCCOC
InChIInChI=1S/C13H28N2O3S/c1-3-15(19(16,17)11-7-10-18-2)13(12-14)8-5-4-6-9-13/h3-12,14H2,1-2H3
InChIKeyKZEFDIJBQHRJHV-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.34
Rot. Bonds8

About N-[1-(aminomethyl)cyclohexyl]-N-ethyl-3-methoxypropane-1-sulfonamide

N-[1-(aminomethyl)cyclohexyl]-N-ethyl-3-methoxypropane-1-sulfonamide (PubChem CID 55172685) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-N-ethyl-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-N-ethyl-3-methoxypropane-1-sulfonamide
PubChem CID55172685
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-N-ethyl-3-methoxypropane-1-sulfonamide
SMILESCCN(C1(CN)CCCCC1)S(=O)(=O)CCCOC
InChIInChI=1S/C13H28N2O3S/c1-3-15(19(16,17)11-7-10-18-2)13(12-14)8-5-4-6-9-13/h3-12,14H2,1-2H3
InChIKeyKZEFDIJBQHRJHV-UHFFFAOYSA-N
XLogP1.34
TPSA72.63 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 ≤ 51.34
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-[1-(aminomethyl)cyclohexyl]-N-ethyl-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-N-ethyl-3-methoxypropane-1-sulfonamide (CID 55172685) is N-[1-(aminomethyl)cyclohexyl]-N-ethyl-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-N-ethyl-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-N-ethyl-3-methoxypropane-1-sulfonamide is CCN(C1(CN)CCCCC1)S(=O)(=O)CCCOC.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-N-ethyl-3-methoxypropane-1-sulfonamide?
The InChIKey is KZEFDIJBQHRJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-3-15(19(16,17)11-7-10-18-2)13(12-14)8-5-4-6-9-13/h3-12,14H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-N-ethyl-3-methoxypropane-1-sulfonamide?
N-[1-(aminomethyl)cyclohexyl]-N-ethyl-3-methoxypropane-1-sulfonamide has a molecular weight of 292.44 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-N-ethyl-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 55172685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).