1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]-2-methylpropan-2-amine

C17H28N2O2S — CID 166538029

IUPAC1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]-2-methylpropan-2-amine
SMILES[H]N=S(=O)(CC(C)(C)N)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C17H28N2O2S/c1-17(2,18)13-22(19,20)16-10-6-9-15(11-16)21-12-14-7-4-3-5-8-14/h6,9-11,14,19H,3-5,7-8,12-13,18H2,1-2H3
InChIKeySCEIFJCBMMUZCQ-UHFFFAOYSA-N
MW324.49 g/mol
LogP3.79
Rot. Bonds6

About 1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]-2-methylpropan-2-amine

1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]-2-methylpropan-2-amine (PubChem CID 166538029) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is 1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]-2-methylpropan-2-amine
PubChem CID166538029
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Name1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]-2-methylpropan-2-amine
SMILES[H]N=S(=O)(CC(C)(C)N)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C17H28N2O2S/c1-17(2,18)13-22(19,20)16-10-6-9-15(11-16)21-12-14-7-4-3-5-8-14/h6,9-11,14,19H,3-5,7-8,12-13,18H2,1-2H3
InChIKeySCEIFJCBMMUZCQ-UHFFFAOYSA-N
XLogP3.79
TPSA76.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]-2-methylpropan-2-amine (CID 166538029) is 1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]-2-methylpropan-2-amine is [H]N=S(=O)(CC(C)(C)N)c1cccc(OCC2CCCCC2)c1.
What is the InChIKey of 1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]-2-methylpropan-2-amine?
The InChIKey is SCEIFJCBMMUZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-17(2,18)13-22(19,20)16-10-6-9-15(11-16)21-12-14-7-4-3-5-8-14/h6,9-11,14,19H,3-5,7-8,12-13,18H2,1-2H3.
What are the key properties of 1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]-2-methylpropan-2-amine?
1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]-2-methylpropan-2-amine has a molecular weight of 324.49 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]-2-methylpropan-2-amine is sourced from PubChem (CID 166538029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).