2-(N-methyl-4-methylsulfonylanilino)cyclohexan-1-ol

C14H21NO3S — CID 102635903

IUPAC2-(N-methyl-4-methylsulfonylanilino)cyclohexan-1-ol
SMILESCN(c1ccc(S(C)(=O)=O)cc1)C1CCCCC1O
InChIInChI=1S/C14H21NO3S/c1-15(13-5-3-4-6-14(13)16)11-7-9-12(10-8-11)19(2,17)18/h7-10,13-14,16H,3-6H2,1-2H3
InChIKeyACWLEVAXDXMNCF-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.83
Rot. Bonds3

About 2-(N-methyl-4-methylsulfonylanilino)cyclohexan-1-ol

2-(N-methyl-4-methylsulfonylanilino)cyclohexan-1-ol (PubChem CID 102635903) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-(N-methyl-4-methylsulfonylanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(N-methyl-4-methylsulfonylanilino)cyclohexan-1-ol
PubChem CID102635903
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-(N-methyl-4-methylsulfonylanilino)cyclohexan-1-ol
SMILESCN(c1ccc(S(C)(=O)=O)cc1)C1CCCCC1O
InChIInChI=1S/C14H21NO3S/c1-15(13-5-3-4-6-14(13)16)11-7-9-12(10-8-11)19(2,17)18/h7-10,13-14,16H,3-6H2,1-2H3
InChIKeyACWLEVAXDXMNCF-UHFFFAOYSA-N
XLogP1.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(N-methyl-4-methylsulfonylanilino)cyclohexan-1-ol?
The IUPAC name of 2-(N-methyl-4-methylsulfonylanilino)cyclohexan-1-ol (CID 102635903) is 2-(N-methyl-4-methylsulfonylanilino)cyclohexan-1-ol.
What is the SMILES notation for 2-(N-methyl-4-methylsulfonylanilino)cyclohexan-1-ol?
The canonical SMILES for 2-(N-methyl-4-methylsulfonylanilino)cyclohexan-1-ol is CN(c1ccc(S(C)(=O)=O)cc1)C1CCCCC1O.
What is the InChIKey of 2-(N-methyl-4-methylsulfonylanilino)cyclohexan-1-ol?
The InChIKey is ACWLEVAXDXMNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-15(13-5-3-4-6-14(13)16)11-7-9-12(10-8-11)19(2,17)18/h7-10,13-14,16H,3-6H2,1-2H3.
What are the key properties of 2-(N-methyl-4-methylsulfonylanilino)cyclohexan-1-ol?
2-(N-methyl-4-methylsulfonylanilino)cyclohexan-1-ol has a molecular weight of 283.39 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methyl-4-methylsulfonylanilino)cyclohexan-1-ol is sourced from PubChem (CID 102635903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).