2-methyl-5-[(2-methylsulfonylcyclopentyl)amino]phenol

C13H19NO3S — CID 107700094

IUPAC2-methyl-5-[(2-methylsulfonylcyclopentyl)amino]phenol
SMILESCc1ccc(NC2CCCC2S(C)(=O)=O)cc1O
InChIInChI=1S/C13H19NO3S/c1-9-6-7-10(8-12(9)15)14-11-4-3-5-13(11)18(2,16)17/h6-8,11,13-15H,3-5H2,1-2H3
InChIKeyIKIMEFDMZOVBFQ-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.08
Rot. Bonds3

About 2-methyl-5-[(2-methylsulfonylcyclopentyl)amino]phenol

2-methyl-5-[(2-methylsulfonylcyclopentyl)amino]phenol (PubChem CID 107700094) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-methyl-5-[(2-methylsulfonylcyclopentyl)amino]phenol.

Molecular Properties

Compound Name2-methyl-5-[(2-methylsulfonylcyclopentyl)amino]phenol
PubChem CID107700094
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-methyl-5-[(2-methylsulfonylcyclopentyl)amino]phenol
SMILESCc1ccc(NC2CCCC2S(C)(=O)=O)cc1O
InChIInChI=1S/C13H19NO3S/c1-9-6-7-10(8-12(9)15)14-11-4-3-5-13(11)18(2,16)17/h6-8,11,13-15H,3-5H2,1-2H3
InChIKeyIKIMEFDMZOVBFQ-UHFFFAOYSA-N
XLogP2.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methylsulfonylcyclopentyl)amino]phenol?
The IUPAC name of 2-methyl-5-[(2-methylsulfonylcyclopentyl)amino]phenol (CID 107700094) is 2-methyl-5-[(2-methylsulfonylcyclopentyl)amino]phenol.
What is the SMILES notation for 2-methyl-5-[(2-methylsulfonylcyclopentyl)amino]phenol?
The canonical SMILES for 2-methyl-5-[(2-methylsulfonylcyclopentyl)amino]phenol is Cc1ccc(NC2CCCC2S(C)(=O)=O)cc1O.
What is the InChIKey of 2-methyl-5-[(2-methylsulfonylcyclopentyl)amino]phenol?
The InChIKey is IKIMEFDMZOVBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-9-6-7-10(8-12(9)15)14-11-4-3-5-13(11)18(2,16)17/h6-8,11,13-15H,3-5H2,1-2H3.
What are the key properties of 2-methyl-5-[(2-methylsulfonylcyclopentyl)amino]phenol?
2-methyl-5-[(2-methylsulfonylcyclopentyl)amino]phenol has a molecular weight of 269.37 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methylsulfonylcyclopentyl)amino]phenol is sourced from PubChem (CID 107700094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).