N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylpropane-1-sulfonamide

C13H28N2O2S — CID 62008420

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

About N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylpropane-1-sulfonamide

N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylpropane-1-sulfonamide (PubChem CID 62008420) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylpropane-1-sulfonamide
PubChem CID62008420
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)C1(CN)CCC(CC)CC1
InChIInChI=1S/C13H28N2O2S/c1-4-10-18(16,17)15(3)13(11-14)8-6-12(5-2)7-9-13/h12H,4-11,14H2,1-3H3
InChIKeySZFSSWMRYNLQKW-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-ethylcyclohexyl]-N-methylpropane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylpropane-1-sulfonamide (CID 62008420) is N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylpropane-1-sulfonamide is CCCS(=O)(=O)N(C)C1(CN)CCC(CC)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylpropane-1-sulfonamide?
The InChIKey is SZFSSWMRYNLQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-10-18(16,17)15(3)13(11-14)8-6-12(5-2)7-9-13/h12H,4-11,14H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylpropane-1-sulfonamide?
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylpropane-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-ethylcyclohexyl]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 62008420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).