N-[1-(aminomethyl)cyclohexyl]-2-ethoxy-N-methylethanesulfonamide

C12H26N2O3S — CID 55175653

IUPACN-[1-(aminomethyl)cyclohexyl]-2-ethoxy-N-methylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(C)C1(CN)CCCCC1
InChIInChI=1S/C12H26N2O3S/c1-3-17-9-10-18(15,16)14(2)12(11-13)7-5-4-6-8-12/h3-11,13H2,1-2H3
InChIKeyYIZDRZOIEROBCY-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.95
Rot. Bonds7

About N-[1-(aminomethyl)cyclohexyl]-2-ethoxy-N-methylethanesulfonamide

N-[1-(aminomethyl)cyclohexyl]-2-ethoxy-N-methylethanesulfonamide (PubChem CID 55175653) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-2-ethoxy-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-2-ethoxy-N-methylethanesulfonamide
PubChem CID55175653
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-2-ethoxy-N-methylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(C)C1(CN)CCCCC1
InChIInChI=1S/C12H26N2O3S/c1-3-17-9-10-18(15,16)14(2)12(11-13)7-5-4-6-8-12/h3-11,13H2,1-2H3
InChIKeyYIZDRZOIEROBCY-UHFFFAOYSA-N
XLogP0.95
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.95
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]-2-ethoxy-N-methylethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-2-ethoxy-N-methylethanesulfonamide (CID 55175653) is N-[1-(aminomethyl)cyclohexyl]-2-ethoxy-N-methylethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-2-ethoxy-N-methylethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-2-ethoxy-N-methylethanesulfonamide is CCOCCS(=O)(=O)N(C)C1(CN)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-2-ethoxy-N-methylethanesulfonamide?
The InChIKey is YIZDRZOIEROBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-3-17-9-10-18(15,16)14(2)12(11-13)7-5-4-6-8-12/h3-11,13H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-2-ethoxy-N-methylethanesulfonamide?
N-[1-(aminomethyl)cyclohexyl]-2-ethoxy-N-methylethanesulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-2-ethoxy-N-methylethanesulfonamide is sourced from PubChem (CID 55175653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).