1-(4-aminophenyl)-N-(2,6-dimethylpiperidin-1-yl)methanesulfonamide

C14H23N3O2S — CID 83012753

IUPAC1-(4-aminophenyl)-N-(2,6-dimethylpiperidin-1-yl)methanesulfonamide
SMILESCC1CCCC(C)N1NS(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H23N3O2S/c1-11-4-3-5-12(2)17(11)16-20(18,19)10-13-6-8-14(15)9-7-13/h6-9,11-12,16H,3-5,10,15H2,1-2H3
InChIKeyRZZSACQHHSTZLC-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.87
Rot. Bonds4

About 1-(4-aminophenyl)-N-(2,6-dimethylpiperidin-1-yl)methanesulfonamide

1-(4-aminophenyl)-N-(2,6-dimethylpiperidin-1-yl)methanesulfonamide (PubChem CID 83012753) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(2,6-dimethylpiperidin-1-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(2,6-dimethylpiperidin-1-yl)methanesulfonamide
PubChem CID83012753
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-(4-aminophenyl)-N-(2,6-dimethylpiperidin-1-yl)methanesulfonamide
SMILESCC1CCCC(C)N1NS(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H23N3O2S/c1-11-4-3-5-12(2)17(11)16-20(18,19)10-13-6-8-14(15)9-7-13/h6-9,11-12,16H,3-5,10,15H2,1-2H3
InChIKeyRZZSACQHHSTZLC-UHFFFAOYSA-N
XLogP1.87
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminophenyl)-N-(2,6-dimethylpiperidin-1-yl)methanesulfonamide
CID 83013302
1-(4-aminophenyl)-N-(2,3-dimethylcyclopentyl)methanesulfonamide
CID 64909059
1-(4-aminophenyl)-N-[(3-hydroxycyclohexyl)methyl]methanesulfonamide
CID 106119368
4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]aniline
CID 1084714
1-(4-aminophenyl)-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 106358787
5-(aminomethyl)-2-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide
CID 106075068
4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline
CID 2920428
N-(2,6-dimethylpiperidin-1-yl)-4-hydroxybenzenesulfonamide
CID 83019232
2-(4-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 16784397
1-(4-aminophenyl)-N-propylmethanesulfonamide
CID 28546657
N-[[4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenyl]methyl]-2,6-dimethylpiperidin-1-amine
CID 24896833
1-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide
CID 64655698

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(2,6-dimethylpiperidin-1-yl)methanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-(2,6-dimethylpiperidin-1-yl)methanesulfonamide (CID 83012753) is 1-(4-aminophenyl)-N-(2,6-dimethylpiperidin-1-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(2,6-dimethylpiperidin-1-yl)methanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(2,6-dimethylpiperidin-1-yl)methanesulfonamide is CC1CCCC(C)N1NS(=O)(=O)Cc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-(2,6-dimethylpiperidin-1-yl)methanesulfonamide?
The InChIKey is RZZSACQHHSTZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11-4-3-5-12(2)17(11)16-20(18,19)10-13-6-8-14(15)9-7-13/h6-9,11-12,16H,3-5,10,15H2,1-2H3.
What are the key properties of 1-(4-aminophenyl)-N-(2,6-dimethylpiperidin-1-yl)methanesulfonamide?
1-(4-aminophenyl)-N-(2,6-dimethylpiperidin-1-yl)methanesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(2,6-dimethylpiperidin-1-yl)methanesulfonamide is sourced from PubChem (CID 83012753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).