N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylpropane-1-sulfonamide

C13H28N2O2S — CID 62008810

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CC)C1(CN)CCC(C)CC1
InChIInChI=1S/C13H28N2O2S/c1-4-10-18(16,17)15(5-2)13(11-14)8-6-12(3)7-9-13/h12H,4-11,14H2,1-3H3
InChIKeyFNRWFNWMKQGFBY-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.96
Rot. Bonds6

About N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylpropane-1-sulfonamide

N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylpropane-1-sulfonamide (PubChem CID 62008810) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylpropane-1-sulfonamide
PubChem CID62008810
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CC)C1(CN)CCC(C)CC1
InChIInChI=1S/C13H28N2O2S/c1-4-10-18(16,17)15(5-2)13(11-14)8-6-12(3)7-9-13/h12H,4-11,14H2,1-3H3
InChIKeyFNRWFNWMKQGFBY-UHFFFAOYSA-N
XLogP1.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylpropane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylpropane-1-sulfonamide (CID 62008810) is N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylpropane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylpropane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylpropane-1-sulfonamide is CCCS(=O)(=O)N(CC)C1(CN)CCC(C)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylpropane-1-sulfonamide?
The InChIKey is FNRWFNWMKQGFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-10-18(16,17)15(5-2)13(11-14)8-6-12(3)7-9-13/h12H,4-11,14H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylpropane-1-sulfonamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylpropane-1-sulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylpropane-1-sulfonamide is sourced from PubChem (CID 62008810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).