4-(cyclohexylmethylsulfonyl)-3-methoxyaniline

C14H21NO3S — CID 81206561

IUPAC4-(cyclohexylmethylsulfonyl)-3-methoxyaniline
SMILESCOc1cc(N)ccc1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C14H21NO3S/c1-18-13-9-12(15)7-8-14(13)19(16,17)10-11-5-3-2-4-6-11/h7-9,11H,2-6,10,15H2,1H3
InChIKeyWZVQAZQOXKLHFN-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.63
Rot. Bonds4

About 4-(cyclohexylmethylsulfonyl)-3-methoxyaniline

4-(cyclohexylmethylsulfonyl)-3-methoxyaniline (PubChem CID 81206561) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-(cyclohexylmethylsulfonyl)-3-methoxyaniline.

Molecular Properties

Compound Name4-(cyclohexylmethylsulfonyl)-3-methoxyaniline
PubChem CID81206561
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name4-(cyclohexylmethylsulfonyl)-3-methoxyaniline
SMILESCOc1cc(N)ccc1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C14H21NO3S/c1-18-13-9-12(15)7-8-14(13)19(16,17)10-11-5-3-2-4-6-11/h7-9,11H,2-6,10,15H2,1H3
InChIKeyWZVQAZQOXKLHFN-UHFFFAOYSA-N
XLogP2.63
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-4-(oxolan-3-ylmethylsulfonyl)aniline
CID 81207444
N-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide
CID 61453809
4-ethylsulfonyl-3-methoxyaniline
CID 81207779
4-cyclopentylsulfonyl-3-methoxyaniline
CID 81207041
4-(3-ethylcyclohexyl)sulfonyl-3-methoxyaniline
CID 81206562
4-benzylsulfonyl-3-methoxyaniline
CID 81207616
4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide
CID 61479238
4-hexylsulfonyl-3-methoxyaniline
CID 81206633
3-methoxy-4-[3-(2-methoxyethoxy)propylsulfonyl]aniline
CID 103416112
4-[(5-ethylthiophen-2-yl)methylsulfonyl]-3-methoxyaniline
CID 81206714
3-methoxy-4-(4-methylpentylsulfonyl)aniline
CID 83163001
N-(5-amino-2-methoxyphenyl)-1-cyclopropylmethanesulfonamide
CID 64987464

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethylsulfonyl)-3-methoxyaniline?
The IUPAC name of 4-(cyclohexylmethylsulfonyl)-3-methoxyaniline (CID 81206561) is 4-(cyclohexylmethylsulfonyl)-3-methoxyaniline.
What is the SMILES notation for 4-(cyclohexylmethylsulfonyl)-3-methoxyaniline?
The canonical SMILES for 4-(cyclohexylmethylsulfonyl)-3-methoxyaniline is COc1cc(N)ccc1S(=O)(=O)CC1CCCCC1.
What is the InChIKey of 4-(cyclohexylmethylsulfonyl)-3-methoxyaniline?
The InChIKey is WZVQAZQOXKLHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-18-13-9-12(15)7-8-14(13)19(16,17)10-11-5-3-2-4-6-11/h7-9,11H,2-6,10,15H2,1H3.
What are the key properties of 4-(cyclohexylmethylsulfonyl)-3-methoxyaniline?
4-(cyclohexylmethylsulfonyl)-3-methoxyaniline has a molecular weight of 283.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethylsulfonyl)-3-methoxyaniline is sourced from PubChem (CID 81206561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).