2-[(2,4,4-trimethylcyclohexyl)amino]ethanesulfonamide

C11H24N2O2S — CID 81320465

IUPAC2-[(2,4,4-trimethylcyclohexyl)amino]ethanesulfonamide
SMILESCC1CC(C)(C)CCC1NCCS(N)(=O)=O
InChIInChI=1S/C11H24N2O2S/c1-9-8-11(2,3)5-4-10(9)13-6-7-16(12,14)15/h9-10,13H,4-8H2,1-3H3,(H2,12,14,15)
InChIKeyMUIJEFLRSKHMQO-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.08
Rot. Bonds4

About 2-[(2,4,4-trimethylcyclohexyl)amino]ethanesulfonamide

2-[(2,4,4-trimethylcyclohexyl)amino]ethanesulfonamide (PubChem CID 81320465) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-[(2,4,4-trimethylcyclohexyl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(2,4,4-trimethylcyclohexyl)amino]ethanesulfonamide
PubChem CID81320465
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name2-[(2,4,4-trimethylcyclohexyl)amino]ethanesulfonamide
SMILESCC1CC(C)(C)CCC1NCCS(N)(=O)=O
InChIInChI=1S/C11H24N2O2S/c1-9-8-11(2,3)5-4-10(9)13-6-7-16(12,14)15/h9-10,13H,4-8H2,1-3H3,(H2,12,14,15)
InChIKeyMUIJEFLRSKHMQO-UHFFFAOYSA-N
XLogP1.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,4-trimethylcyclohexyl)amino]ethanesulfonamide?
The IUPAC name of 2-[(2,4,4-trimethylcyclohexyl)amino]ethanesulfonamide (CID 81320465) is 2-[(2,4,4-trimethylcyclohexyl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(2,4,4-trimethylcyclohexyl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(2,4,4-trimethylcyclohexyl)amino]ethanesulfonamide is CC1CC(C)(C)CCC1NCCS(N)(=O)=O.
What is the InChIKey of 2-[(2,4,4-trimethylcyclohexyl)amino]ethanesulfonamide?
The InChIKey is MUIJEFLRSKHMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-9-8-11(2,3)5-4-10(9)13-6-7-16(12,14)15/h9-10,13H,4-8H2,1-3H3,(H2,12,14,15).
What are the key properties of 2-[(2,4,4-trimethylcyclohexyl)amino]ethanesulfonamide?
2-[(2,4,4-trimethylcyclohexyl)amino]ethanesulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,4-trimethylcyclohexyl)amino]ethanesulfonamide is sourced from PubChem (CID 81320465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).