N-(4-aminophenyl)-4-methyl-N-propylpiperidine-1-sulfonamide

C15H25N3O2S — CID 63233770

IUPACN-(4-aminophenyl)-4-methyl-N-propylpiperidine-1-sulfonamide
SMILESCCCN(c1ccc(N)cc1)S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C15H25N3O2S/c1-3-10-18(15-6-4-14(16)5-7-15)21(19,20)17-11-8-13(2)9-12-17/h4-7,13H,3,8-12,16H2,1-2H3
InChIKeyCBVGYIDUYOCMHO-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.46
Rot. Bonds5

About N-(4-aminophenyl)-4-methyl-N-propylpiperidine-1-sulfonamide

N-(4-aminophenyl)-4-methyl-N-propylpiperidine-1-sulfonamide (PubChem CID 63233770) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-methyl-N-propylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-methyl-N-propylpiperidine-1-sulfonamide
PubChem CID63233770
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-(4-aminophenyl)-4-methyl-N-propylpiperidine-1-sulfonamide
SMILESCCCN(c1ccc(N)cc1)S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C15H25N3O2S/c1-3-10-18(15-6-4-14(16)5-7-15)21(19,20)17-11-8-13(2)9-12-17/h4-7,13H,3,8-12,16H2,1-2H3
InChIKeyCBVGYIDUYOCMHO-UHFFFAOYSA-N
XLogP2.46
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-sulfonamide
CID 29032011
N-(4-bromophenyl)-N-propylpiperazine-1-sulfonamide
CID 164863788
N-[4-(aminomethyl)phenyl]-N-propylmorpholine-4-sulfonamide
CID 43275774
N-(4-aminophenyl)-N-propylpropane-2-sulfonamide
CID 63233852
N-(3-aminophenyl)-N-propylmorpholine-4-sulfonamide
CID 63229912
4-N-(diethylsulfamoyl)-4-N-propylbenzene-1,4-diamine
CID 63233725
N-(4-aminophenyl)-N-propylbutane-1-sulfonamide
CID 55173436
N-(4-aminophenyl)-4-methyl-N-propylbenzenesulfonamide
CID 63233552
N-(4-aminophenyl)-N-ethylethanesulfonamide
CID 63233742
N-(4-aminophenyl)-1-phenyl-N-propylmethanesulfonamide
CID 63233636
N-(4-aminophenyl)-4-fluoro-N-propylbenzenesulfonamide
CID 63233678
ethyl 2-[(4-methylpiperidin-1-yl)sulfonyl-propylamino]acetate
CID 61006916

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-methyl-N-propylpiperidine-1-sulfonamide?
The IUPAC name of N-(4-aminophenyl)-4-methyl-N-propylpiperidine-1-sulfonamide (CID 63233770) is N-(4-aminophenyl)-4-methyl-N-propylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-4-methyl-N-propylpiperidine-1-sulfonamide?
The canonical SMILES for N-(4-aminophenyl)-4-methyl-N-propylpiperidine-1-sulfonamide is CCCN(c1ccc(N)cc1)S(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of N-(4-aminophenyl)-4-methyl-N-propylpiperidine-1-sulfonamide?
The InChIKey is CBVGYIDUYOCMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-10-18(15-6-4-14(16)5-7-15)21(19,20)17-11-8-13(2)9-12-17/h4-7,13H,3,8-12,16H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-4-methyl-N-propylpiperidine-1-sulfonamide?
N-(4-aminophenyl)-4-methyl-N-propylpiperidine-1-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-methyl-N-propylpiperidine-1-sulfonamide is sourced from PubChem (CID 63233770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).