4-methyl-1-[4-(methylamino)phenyl]sulfonylazepan-4-ol

C14H22N2O3S — CID 107405201

IUPAC4-methyl-1-[4-(methylamino)phenyl]sulfonylazepan-4-ol
SMILESCNc1ccc(S(=O)(=O)N2CCCC(C)(O)CC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-14(17)8-3-10-16(11-9-14)20(18,19)13-6-4-12(15-2)5-7-13/h4-7,15,17H,3,8-11H2,1-2H3
InChIKeyVRIAUVWEXXCKDL-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.65
Rot. Bonds3

About 4-methyl-1-[4-(methylamino)phenyl]sulfonylazepan-4-ol

4-methyl-1-[4-(methylamino)phenyl]sulfonylazepan-4-ol (PubChem CID 107405201) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-methyl-1-[4-(methylamino)phenyl]sulfonylazepan-4-ol.

Molecular Properties

Compound Name4-methyl-1-[4-(methylamino)phenyl]sulfonylazepan-4-ol
PubChem CID107405201
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-methyl-1-[4-(methylamino)phenyl]sulfonylazepan-4-ol
SMILESCNc1ccc(S(=O)(=O)N2CCCC(C)(O)CC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-14(17)8-3-10-16(11-9-14)20(18,19)13-6-4-12(15-2)5-7-13/h4-7,15,17H,3,8-11H2,1-2H3
InChIKeyVRIAUVWEXXCKDL-UHFFFAOYSA-N
XLogP1.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-1-[4-(methylamino)phenyl]sulfonylazepan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(ethylamino)phenyl]sulfonyl-4-methylazepan-4-ol
CID 107408422
1-(benzenesulfonyl)-4-methylazepan-4-ol
CID 107407045
4-(azepan-1-ylsulfonyl)-N-methylaniline
CID 43154646
4-(azocan-1-ylsulfonyl)-N-methylaniline
CID 43332108
4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 81103611
5-(4-hydroxy-4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one
CID 107405922
4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonylbenzonitrile
CID 81102847
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103770
1-(3-amino-5-fluoro-4-methylphenyl)sulfonyl-4-methylazepan-4-ol
CID 107403556
1-(2-amino-3,6-dimethylphenyl)sulfonyl-4-methylazepan-4-ol
CID 107403545
4-methyl-1-pyrrolidin-1-ylsulfonylazepan-4-ol
CID 107407041
4-hydroxy-4-methylazepane-1-sulfonamide
CID 107406904

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(methylamino)phenyl]sulfonylazepan-4-ol?
The IUPAC name of 4-methyl-1-[4-(methylamino)phenyl]sulfonylazepan-4-ol (CID 107405201) is 4-methyl-1-[4-(methylamino)phenyl]sulfonylazepan-4-ol.
What is the SMILES notation for 4-methyl-1-[4-(methylamino)phenyl]sulfonylazepan-4-ol?
The canonical SMILES for 4-methyl-1-[4-(methylamino)phenyl]sulfonylazepan-4-ol is CNc1ccc(S(=O)(=O)N2CCCC(C)(O)CC2)cc1.
What is the InChIKey of 4-methyl-1-[4-(methylamino)phenyl]sulfonylazepan-4-ol?
The InChIKey is VRIAUVWEXXCKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-14(17)8-3-10-16(11-9-14)20(18,19)13-6-4-12(15-2)5-7-13/h4-7,15,17H,3,8-11H2,1-2H3.
What are the key properties of 4-methyl-1-[4-(methylamino)phenyl]sulfonylazepan-4-ol?
4-methyl-1-[4-(methylamino)phenyl]sulfonylazepan-4-ol has a molecular weight of 298.41 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(methylamino)phenyl]sulfonylazepan-4-ol is sourced from PubChem (CID 107405201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).