2,6-dimethyl-3-[(2-methylsulfonylcyclopentyl)amino]phenol

C14H21NO3S — CID 65043853

IUPAC2,6-dimethyl-3-[(2-methylsulfonylcyclopentyl)amino]phenol
SMILESCc1ccc(NC2CCCC2S(C)(=O)=O)c(C)c1O
InChIInChI=1S/C14H21NO3S/c1-9-7-8-11(10(2)14(9)16)15-12-5-4-6-13(12)19(3,17)18/h7-8,12-13,15-16H,4-6H2,1-3H3
InChIKeyCPPFDICDQZHNDZ-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.39
Rot. Bonds3

About 2,6-dimethyl-3-[(2-methylsulfonylcyclopentyl)amino]phenol

2,6-dimethyl-3-[(2-methylsulfonylcyclopentyl)amino]phenol (PubChem CID 65043853) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2,6-dimethyl-3-[(2-methylsulfonylcyclopentyl)amino]phenol.

Molecular Properties

Compound Name2,6-dimethyl-3-[(2-methylsulfonylcyclopentyl)amino]phenol
PubChem CID65043853
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2,6-dimethyl-3-[(2-methylsulfonylcyclopentyl)amino]phenol
SMILESCc1ccc(NC2CCCC2S(C)(=O)=O)c(C)c1O
InChIInChI=1S/C14H21NO3S/c1-9-7-8-11(10(2)14(9)16)15-12-5-4-6-13(12)19(3,17)18/h7-8,12-13,15-16H,4-6H2,1-3H3
InChIKeyCPPFDICDQZHNDZ-UHFFFAOYSA-N
XLogP2.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[(2-methylsulfonylcyclopentyl)amino]phenol
CID 107700094
5-bromo-2-methyl-N-(2-methylsulfonylcyclopentyl)aniline
CID 65044140
2,6-dimethyl-3-[(2-methylcyclohexyl)amino]phenol
CID 43741722
methyl 3-methyl-4-[(2-methylsulfonylcyclopentyl)amino]benzoate
CID 65044287
methyl 2-methyl-3-[(2-methylsulfonylcyclopentyl)amino]benzoate
CID 65043932
2-methyl-N-(2-methylsulfonylcyclopentyl)-3-nitroaniline
CID 65043985
2-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine
CID 79041776
3-(cyclopropylamino)-2,6-dimethylphenol
CID 103439123
2-bromo-5-methyl-N-(2-methylsulfonylcyclopentyl)aniline
CID 82761934
2-chloro-4-iodo-N-(2-methylsulfonylcyclopentyl)aniline
CID 65044044
N-(2-methylsulfonylcyclopentyl)naphthalen-1-amine
CID 65046366
4-methyl-N-(2-methylsulfonylcyclopentyl)-3-nitroaniline
CID 65044524

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[(2-methylsulfonylcyclopentyl)amino]phenol?
The IUPAC name of 2,6-dimethyl-3-[(2-methylsulfonylcyclopentyl)amino]phenol (CID 65043853) is 2,6-dimethyl-3-[(2-methylsulfonylcyclopentyl)amino]phenol.
What is the SMILES notation for 2,6-dimethyl-3-[(2-methylsulfonylcyclopentyl)amino]phenol?
The canonical SMILES for 2,6-dimethyl-3-[(2-methylsulfonylcyclopentyl)amino]phenol is Cc1ccc(NC2CCCC2S(C)(=O)=O)c(C)c1O.
What is the InChIKey of 2,6-dimethyl-3-[(2-methylsulfonylcyclopentyl)amino]phenol?
The InChIKey is CPPFDICDQZHNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-9-7-8-11(10(2)14(9)16)15-12-5-4-6-13(12)19(3,17)18/h7-8,12-13,15-16H,4-6H2,1-3H3.
What are the key properties of 2,6-dimethyl-3-[(2-methylsulfonylcyclopentyl)amino]phenol?
2,6-dimethyl-3-[(2-methylsulfonylcyclopentyl)amino]phenol has a molecular weight of 283.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[(2-methylsulfonylcyclopentyl)amino]phenol is sourced from PubChem (CID 65043853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).