2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethanesulfonamide

C12H26N2O2S — CID 43551955

IUPAC2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethanesulfonamide
SMILESCC1CCC(C(C)C)C(NCCS(N)(=O)=O)C1
InChIInChI=1S/C12H26N2O2S/c1-9(2)11-5-4-10(3)8-12(11)14-6-7-17(13,15)16/h9-12,14H,4-8H2,1-3H3,(H2,13,15,16)
InChIKeyUFOLIVCQJGAXBS-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.33
Rot. Bonds5

About 2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethanesulfonamide

2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethanesulfonamide (PubChem CID 43551955) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethanesulfonamide
PubChem CID43551955
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethanesulfonamide
SMILESCC1CCC(C(C)C)C(NCCS(N)(=O)=O)C1
InChIInChI=1S/C12H26N2O2S/c1-9(2)11-5-4-10(3)8-12(11)14-6-7-17(13,15)16/h9-12,14H,4-8H2,1-3H3,(H2,13,15,16)
InChIKeyUFOLIVCQJGAXBS-UHFFFAOYSA-N
XLogP1.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethanesulfonamide?
The IUPAC name of 2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethanesulfonamide (CID 43551955) is 2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethanesulfonamide is CC1CCC(C(C)C)C(NCCS(N)(=O)=O)C1.
What is the InChIKey of 2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethanesulfonamide?
The InChIKey is UFOLIVCQJGAXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-9(2)11-5-4-10(3)8-12(11)14-6-7-17(13,15)16/h9-12,14H,4-8H2,1-3H3,(H2,13,15,16).
What are the key properties of 2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethanesulfonamide?
2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethanesulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethanesulfonamide is sourced from PubChem (CID 43551955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).