1-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide

C13H19N3O3S — CID 64655698

IUPAC1-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide
SMILESCN1CC(NS(=O)(=O)Cc2ccc(N)cc2)CCC1=O
InChIInChI=1S/C13H19N3O3S/c1-16-8-12(6-7-13(16)17)15-20(18,19)9-10-2-4-11(14)5-3-10/h2-5,12,15H,6-9,14H2,1H3
InChIKeyBBVMPFMWKDJOHZ-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.31
Rot. Bonds4

About 1-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide

1-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide (PubChem CID 64655698) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide
PubChem CID64655698
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name1-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide
SMILESCN1CC(NS(=O)(=O)Cc2ccc(N)cc2)CCC1=O
InChIInChI=1S/C13H19N3O3S/c1-16-8-12(6-7-13(16)17)15-20(18,19)9-10-2-4-11(14)5-3-10/h2-5,12,15H,6-9,14H2,1H3
InChIKeyBBVMPFMWKDJOHZ-UHFFFAOYSA-N
XLogP0.31
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.31
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

2-amino-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide
CID 64669398
3-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 64655886
2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide
CID 107652065
5-amino-2-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 64654475
1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide
CID 64670233
2-(4-aminophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
CID 64654058
2-[4-(aminomethyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
CID 64656494
4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 64670246
4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 82843888
1-(4-aminophenyl)-N-(2,3-dimethylcyclopentyl)methanesulfonamide
CID 64909059
3-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-4-sulfonamide
CID 64656103
5-(4-amino-2-iodoanilino)-1-methylpiperidin-2-one
CID 66093578

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide (CID 64655698) is 1-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide is CN1CC(NS(=O)(=O)Cc2ccc(N)cc2)CCC1=O.
What is the InChIKey of 1-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide?
The InChIKey is BBVMPFMWKDJOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-16-8-12(6-7-13(16)17)15-20(18,19)9-10-2-4-11(14)5-3-10/h2-5,12,15H,6-9,14H2,1H3.
What are the key properties of 1-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide?
1-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide has a molecular weight of 297.38 g/mol, XLogP of 0.31, 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-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide is sourced from PubChem (CID 64655698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).