N,N-dimethyl-3-(piperidin-4-ylamino)benzenesulfonamide

C13H21N3O2S — CID 54906646

IUPACN,N-dimethyl-3-(piperidin-4-ylamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NC2CCNCC2)c1
InChIInChI=1S/C13H21N3O2S/c1-16(2)19(17,18)13-5-3-4-12(10-13)15-11-6-8-14-9-7-11/h3-5,10-11,14-15H,6-9H2,1-2H3
InChIKeyZBQJRZSRCIZHRI-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.10
Rot. Bonds4

About N,N-dimethyl-3-(piperidin-4-ylamino)benzenesulfonamide

N,N-dimethyl-3-(piperidin-4-ylamino)benzenesulfonamide (PubChem CID 54906646) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N,N-dimethyl-3-(piperidin-4-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(piperidin-4-ylamino)benzenesulfonamide
PubChem CID54906646
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN,N-dimethyl-3-(piperidin-4-ylamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NC2CCNCC2)c1
InChIInChI=1S/C13H21N3O2S/c1-16(2)19(17,18)13-5-3-4-12(10-13)15-11-6-8-14-9-7-11/h3-5,10-11,14-15H,6-9H2,1-2H3
InChIKeyZBQJRZSRCIZHRI-UHFFFAOYSA-N
XLogP1.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide
CID 43715534
N,N-dimethyl-3-(thian-4-ylamino)benzenesulfonamide
CID 43715600
N,N-dimethyl-3-[(3-propan-2-ylcyclobutyl)amino]benzenesulfonamide
CID 103561319
N-(3-methylsulfonylphenyl)pyrrolidin-3-amine
CID 79730618
N-(3-methylphenyl)piperidin-4-amine;dihydrochloride
CID 66545678
N-[3-(dimethylsulfamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672920
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-disulfonamide
CID 119976410
1-[3-(dimethylsulfamoyl)phenyl]-3-(4-methylcyclohexyl)thiourea
CID 8660201
N,N-dimethyl-3-piperazin-1-ylsulfonylbenzenesulfonamide
CID 119961539
N-methyl-3-piperidin-4-ylsulfonylaniline
CID 139989076
N,N-dimethyl-4-[(2-methylpiperidin-4-yl)amino]benzenesulfonamide
CID 106996160
3-[methyl(propan-2-yl)sulfamoyl]-N-piperidin-4-ylbenzamide
CID 119388175

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(piperidin-4-ylamino)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-(piperidin-4-ylamino)benzenesulfonamide (CID 54906646) is N,N-dimethyl-3-(piperidin-4-ylamino)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-(piperidin-4-ylamino)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-(piperidin-4-ylamino)benzenesulfonamide is CN(C)S(=O)(=O)c1cccc(NC2CCNCC2)c1.
What is the InChIKey of N,N-dimethyl-3-(piperidin-4-ylamino)benzenesulfonamide?
The InChIKey is ZBQJRZSRCIZHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-16(2)19(17,18)13-5-3-4-12(10-13)15-11-6-8-14-9-7-11/h3-5,10-11,14-15H,6-9H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(piperidin-4-ylamino)benzenesulfonamide?
N,N-dimethyl-3-(piperidin-4-ylamino)benzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(piperidin-4-ylamino)benzenesulfonamide is sourced from PubChem (CID 54906646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).