N-[1-(aminomethyl)cyclooctyl]-2-methylpropane-2-sulfonamide

C13H28N2O2S — CID 55232017

IUPACN-[1-(aminomethyl)cyclooctyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1(CN)CCCCCCC1
InChIInChI=1S/C13H28N2O2S/c1-12(2,3)18(16,17)15-13(11-14)9-7-5-4-6-8-10-13/h15H,4-11,14H2,1-3H3
InChIKeyNDJJBFWJRLBUQD-UHFFFAOYSA-N
MW276.45 g/mol
LogP2.15
Rot. Bonds3

About N-[1-(aminomethyl)cyclooctyl]-2-methylpropane-2-sulfonamide

N-[1-(aminomethyl)cyclooctyl]-2-methylpropane-2-sulfonamide (PubChem CID 55232017) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclooctyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclooctyl]-2-methylpropane-2-sulfonamide
PubChem CID55232017
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-[1-(aminomethyl)cyclooctyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1(CN)CCCCCCC1
InChIInChI=1S/C13H28N2O2S/c1-12(2,3)18(16,17)15-13(11-14)9-7-5-4-6-8-10-13/h15H,4-11,14H2,1-3H3
InChIKeyNDJJBFWJRLBUQD-UHFFFAOYSA-N
XLogP2.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclooctyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclooctyl]-2-methylpropane-2-sulfonamide (CID 55232017) is N-[1-(aminomethyl)cyclooctyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclooctyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclooctyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC1(CN)CCCCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclooctyl]-2-methylpropane-2-sulfonamide?
The InChIKey is NDJJBFWJRLBUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-12(2,3)18(16,17)15-13(11-14)9-7-5-4-6-8-10-13/h15H,4-11,14H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)cyclooctyl]-2-methylpropane-2-sulfonamide?
N-[1-(aminomethyl)cyclooctyl]-2-methylpropane-2-sulfonamide has a molecular weight of 276.45 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclooctyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 55232017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).