(2,5-dimethylpyrrolidin-1-yl)-dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfane

C15H25NO2S — CID 140620743

IUPAC(2,5-dimethylpyrrolidin-1-yl)-dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfane
SMILESCC(C)c1ccc(S(O)(O)N2C(C)CCC2C)cc1
InChIInChI=1S/C15H25NO2S/c1-11(2)14-7-9-15(10-8-14)19(17,18)16-12(3)5-6-13(16)4/h7-13,17-18H,5-6H2,1-4H3
InChIKeyRTSFJKNOJWYPJF-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.71
Rot. Bonds3

About (2,5-dimethylpyrrolidin-1-yl)-dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfane

(2,5-dimethylpyrrolidin-1-yl)-dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfane (PubChem CID 140620743) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is (2,5-dimethylpyrrolidin-1-yl)-dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfane.

Molecular Properties

Compound Name(2,5-dimethylpyrrolidin-1-yl)-dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfane
PubChem CID140620743
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name(2,5-dimethylpyrrolidin-1-yl)-dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfane
SMILESCC(C)c1ccc(S(O)(O)N2C(C)CCC2C)cc1
InChIInChI=1S/C15H25NO2S/c1-11(2)14-7-9-15(10-8-14)19(17,18)16-12(3)5-6-13(16)4/h7-13,17-18H,5-6H2,1-4H3
InChIKeyRTSFJKNOJWYPJF-UHFFFAOYSA-N
XLogP4.71
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrrolidin-1-yl)-dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfane?
The IUPAC name of (2,5-dimethylpyrrolidin-1-yl)-dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfane (CID 140620743) is (2,5-dimethylpyrrolidin-1-yl)-dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfane.
What is the SMILES notation for (2,5-dimethylpyrrolidin-1-yl)-dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfane?
The canonical SMILES for (2,5-dimethylpyrrolidin-1-yl)-dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfane is CC(C)c1ccc(S(O)(O)N2C(C)CCC2C)cc1.
What is the InChIKey of (2,5-dimethylpyrrolidin-1-yl)-dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfane?
The InChIKey is RTSFJKNOJWYPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-11(2)14-7-9-15(10-8-14)19(17,18)16-12(3)5-6-13(16)4/h7-13,17-18H,5-6H2,1-4H3.
What are the key properties of (2,5-dimethylpyrrolidin-1-yl)-dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfane?
(2,5-dimethylpyrrolidin-1-yl)-dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfane has a molecular weight of 283.44 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrrolidin-1-yl)-dihydroxy-(4-propan-2-ylphenyl)-λ4-sulfane is sourced from PubChem (CID 140620743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).