N,2-dimethyl-4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide

C15H25N3O4S2 — CID 120875001

IUPACN,2-dimethyl-4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide
SMILESCNCC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC)c(C)c2)CC1
InChIInChI=1S/C15H25N3O4S2/c1-12-10-14(4-5-15(12)23(19,20)17-3)24(21,22)18-8-6-13(7-9-18)11-16-2/h4-5,10,13,16-17H,6-9,11H2,1-3H3
InChIKeyZEVDQNPRKYJILA-UHFFFAOYSA-N
MW375.52 g/mol
LogP0.52
Rot. Bonds6

About N,2-dimethyl-4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide

N,2-dimethyl-4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide (PubChem CID 120875001) has the molecular formula C15H25N3O4S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N,2-dimethyl-4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide
PubChem CID120875001
Molecular FormulaC15H25N3O4S2
Molecular Weight375.52 g/mol
Exact Mass375.13
IUPAC NameN,2-dimethyl-4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide
SMILESCNCC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC)c(C)c2)CC1
InChIInChI=1S/C15H25N3O4S2/c1-12-10-14(4-5-15(12)23(19,20)17-3)24(21,22)18-8-6-13(7-9-18)11-16-2/h4-5,10,13,16-17H,6-9,11H2,1-3H3
InChIKeyZEVDQNPRKYJILA-UHFFFAOYSA-N
XLogP0.52
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978268
N,2-dimethyl-4-[3-(methylamino)pyrrolidin-1-yl]sulfonylbenzenesulfonamide;hydrochloride
CID 120999310
N,N,2-trimethyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylaniline;hydrochloride
CID 119978372
N-[2-methyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 119978274
1-[3-methyl-4-(methylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 120660318
N-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
CID 119978069
1-[1-(6-bromonaphthalen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 120709764
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 119978298
2-methyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylisoindole-1,3-dione
CID 119978462
1-[1-(4-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63263879
2-chloro-4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylbenzonitrile
CID 115752381
N-methyl-1-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 119978068

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The IUPAC name of N,2-dimethyl-4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide (CID 120875001) is N,2-dimethyl-4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide.
What is the SMILES notation for N,2-dimethyl-4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The canonical SMILES for N,2-dimethyl-4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide is CNCC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC)c(C)c2)CC1.
What is the InChIKey of N,2-dimethyl-4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The InChIKey is ZEVDQNPRKYJILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S2/c1-12-10-14(4-5-15(12)23(19,20)17-3)24(21,22)18-8-6-13(7-9-18)11-16-2/h4-5,10,13,16-17H,6-9,11H2,1-3H3.
What are the key properties of N,2-dimethyl-4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide?
N,2-dimethyl-4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide has a molecular weight of 375.52 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 120875001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).