N,N-dimethyl-4-[(2-methylpiperidin-4-yl)amino]benzenesulfonamide

C14H23N3O2S — CID 106996160

IUPACN,N-dimethyl-4-[(2-methylpiperidin-4-yl)amino]benzenesulfonamide
SMILESCC1CC(Nc2ccc(S(=O)(=O)N(C)C)cc2)CCN1
InChIInChI=1S/C14H23N3O2S/c1-11-10-13(8-9-15-11)16-12-4-6-14(7-5-12)20(18,19)17(2)3/h4-7,11,13,15-16H,8-10H2,1-3H3
InChIKeyYYLVKRYREBVLCO-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.49
Rot. Bonds4

About N,N-dimethyl-4-[(2-methylpiperidin-4-yl)amino]benzenesulfonamide

N,N-dimethyl-4-[(2-methylpiperidin-4-yl)amino]benzenesulfonamide (PubChem CID 106996160) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[(2-methylpiperidin-4-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(2-methylpiperidin-4-yl)amino]benzenesulfonamide
PubChem CID106996160
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN,N-dimethyl-4-[(2-methylpiperidin-4-yl)amino]benzenesulfonamide
SMILESCC1CC(Nc2ccc(S(=O)(=O)N(C)C)cc2)CCN1
InChIInChI=1S/C14H23N3O2S/c1-11-10-13(8-9-15-11)16-12-4-6-14(7-5-12)20(18,19)17(2)3/h4-7,11,13,15-16H,8-10H2,1-3H3
InChIKeyYYLVKRYREBVLCO-UHFFFAOYSA-N
XLogP1.49
TPSA61.44 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 ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-aminocyclopropyl)amino]-N,N-dimethylbenzenesulfonamide
CID 43598794
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-methylpiperidin-4-yl)acetamide
CID 120600077
N,N-dimethyl-3-(piperidin-4-ylamino)benzenesulfonamide
CID 54906646
N,N-dimethyl-4-(2-pyrrolidin-2-ylethylamino)benzenesulfonamide
CID 114794395
N-(2-methylpiperidin-4-yl)-4-(methylsulfamoyl)benzamide
CID 120599207
4-(dicyclopropylmethylamino)-N,N-dimethylbenzenesulfonamide
CID 43682546
N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]benzenesulfonamide
CID 94450668
N-(5-fluoro-2-nitrophenyl)-2-methylpiperidin-4-amine
CID 106996155
N,N-dimethyl-4-(methylamino)benzenesulfonamide;hydrochloride
CID 86775481
N-(2-methylpiperidin-4-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120585680
2-methyl-N-(methylsulfamoyl)piperidin-4-amine
CID 106995824
N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide
CID 106995654

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(2-methylpiperidin-4-yl)amino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[(2-methylpiperidin-4-yl)amino]benzenesulfonamide (CID 106996160) is N,N-dimethyl-4-[(2-methylpiperidin-4-yl)amino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[(2-methylpiperidin-4-yl)amino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[(2-methylpiperidin-4-yl)amino]benzenesulfonamide is CC1CC(Nc2ccc(S(=O)(=O)N(C)C)cc2)CCN1.
What is the InChIKey of N,N-dimethyl-4-[(2-methylpiperidin-4-yl)amino]benzenesulfonamide?
The InChIKey is YYLVKRYREBVLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11-10-13(8-9-15-11)16-12-4-6-14(7-5-12)20(18,19)17(2)3/h4-7,11,13,15-16H,8-10H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[(2-methylpiperidin-4-yl)amino]benzenesulfonamide?
N,N-dimethyl-4-[(2-methylpiperidin-4-yl)amino]benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(2-methylpiperidin-4-yl)amino]benzenesulfonamide is sourced from PubChem (CID 106996160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).