2-[(2,6-dimethylcyclohexyl)amino]ethanesulfonamide

C10H22N2O2S — CID 43551956

IUPAC2-[(2,6-dimethylcyclohexyl)amino]ethanesulfonamide
SMILESCC1CCCC(C)C1NCCS(N)(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-8-4-3-5-9(2)10(8)12-6-7-15(11,13)14/h8-10,12H,3-7H2,1-2H3,(H2,11,13,14)
InChIKeyIIQURWOYSNSJOK-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.69
Rot. Bonds4

About 2-[(2,6-dimethylcyclohexyl)amino]ethanesulfonamide

2-[(2,6-dimethylcyclohexyl)amino]ethanesulfonamide (PubChem CID 43551956) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 2-[(2,6-dimethylcyclohexyl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(2,6-dimethylcyclohexyl)amino]ethanesulfonamide
PubChem CID43551956
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name2-[(2,6-dimethylcyclohexyl)amino]ethanesulfonamide
SMILESCC1CCCC(C)C1NCCS(N)(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-8-4-3-5-9(2)10(8)12-6-7-15(11,13)14/h8-10,12H,3-7H2,1-2H3,(H2,11,13,14)
InChIKeyIIQURWOYSNSJOK-UHFFFAOYSA-N
XLogP0.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylcyclohexyl)amino]ethanesulfonamide?
The IUPAC name of 2-[(2,6-dimethylcyclohexyl)amino]ethanesulfonamide (CID 43551956) is 2-[(2,6-dimethylcyclohexyl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(2,6-dimethylcyclohexyl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(2,6-dimethylcyclohexyl)amino]ethanesulfonamide is CC1CCCC(C)C1NCCS(N)(=O)=O.
What is the InChIKey of 2-[(2,6-dimethylcyclohexyl)amino]ethanesulfonamide?
The InChIKey is IIQURWOYSNSJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-8-4-3-5-9(2)10(8)12-6-7-15(11,13)14/h8-10,12H,3-7H2,1-2H3,(H2,11,13,14).
What are the key properties of 2-[(2,6-dimethylcyclohexyl)amino]ethanesulfonamide?
2-[(2,6-dimethylcyclohexyl)amino]ethanesulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylcyclohexyl)amino]ethanesulfonamide is sourced from PubChem (CID 43551956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).