2,3-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol

C14H23NO3S — CID 75484588

IUPAC2,3-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol
SMILESCCC(C)C(C)(O)CNc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO3S/c1-5-11(2)14(3,16)10-15-12-6-8-13(9-7-12)19(4,17)18/h6-9,11,15-16H,5,10H2,1-4H3
InChIKeyYRUIXAGMRDAFRD-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.30
Rot. Bonds6

About 2,3-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol

2,3-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol (PubChem CID 75484588) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2,3-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol
PubChem CID75484588
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name2,3-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol
SMILESCCC(C)C(C)(O)CNc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO3S/c1-5-11(2)14(3,16)10-15-12-6-8-13(9-7-12)19(4,17)18/h6-9,11,15-16H,5,10H2,1-4H3
InChIKeyYRUIXAGMRDAFRD-UHFFFAOYSA-N
XLogP2.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol?
The IUPAC name of 2,3-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol (CID 75484588) is 2,3-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol is CCC(C)C(C)(O)CNc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2,3-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol?
The InChIKey is YRUIXAGMRDAFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-5-11(2)14(3,16)10-15-12-6-8-13(9-7-12)19(4,17)18/h6-9,11,15-16H,5,10H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol?
2,3-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol has a molecular weight of 285.41 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol is sourced from PubChem (CID 75484588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).