5-amino-N-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide

C15H25N3O2S — CID 103505188

IUPAC5-amino-N-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1N1CCC(C(C)C)CC1
InChIInChI=1S/C15H25N3O2S/c1-11(2)12-6-8-18(9-7-12)14-5-4-13(16)10-15(14)21(19,20)17-3/h4-5,10-12,17H,6-9,16H2,1-3H3
InChIKeyQKJSBIZYLCFMGP-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.05
Rot. Bonds4

About 5-amino-N-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide

5-amino-N-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide (PubChem CID 103505188) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 5-amino-N-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide
PubChem CID103505188
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name5-amino-N-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1N1CCC(C(C)C)CC1
InChIInChI=1S/C15H25N3O2S/c1-11(2)12-6-8-18(9-7-12)14-5-4-13(16)10-15(14)21(19,20)17-3/h4-5,10-12,17H,6-9,16H2,1-3H3
InChIKeyQKJSBIZYLCFMGP-UHFFFAOYSA-N
XLogP2.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-methyl-2-piperazin-1-ylbenzenesulfonamide
CID 103286986
5-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbenzenesulfonamide
CID 103287216
5-amino-2-(3,5-dimethylpiperidin-1-yl)-N-methylbenzenesulfonamide
CID 103286576
5-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-methylbenzenesulfonamide
CID 103287518
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
CID 103976908
5-amino-N-methyl-2-(4-methyl-3-oxopiperazin-1-yl)benzenesulfonamide
CID 103287123
5-amino-2-(4-propan-2-ylpiperidin-1-yl)benzoic acid
CID 12784702
5-amino-2-(2,2-dimethylmorpholin-4-yl)-N-methylbenzenesulfonamide
CID 103286780
5-amino-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide
CID 103505164
1-[4-amino-2-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 103286895
4-ethyl-3-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 103505048
4-[4-(1-aminoethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
CID 63596613

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide?
The IUPAC name of 5-amino-N-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide (CID 103505188) is 5-amino-N-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-N-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-N-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1N1CCC(C(C)C)CC1.
What is the InChIKey of 5-amino-N-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide?
The InChIKey is QKJSBIZYLCFMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-11(2)12-6-8-18(9-7-12)14-5-4-13(16)10-15(14)21(19,20)17-3/h4-5,10-12,17H,6-9,16H2,1-3H3.
What are the key properties of 5-amino-N-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide?
5-amino-N-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 103505188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).