N,N-dimethyl-3-[3-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide

C15H25N3O4S2 — CID 119960974

IUPACN,N-dimethyl-3-[3-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide
SMILESCNCC1CCCN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1
InChIInChI=1S/C15H25N3O4S2/c1-16-11-13-6-5-9-18(12-13)24(21,22)15-8-4-7-14(10-15)23(19,20)17(2)3/h4,7-8,10,13,16H,5-6,9,11-12H2,1-3H3
InChIKeyWSZIBTOSAHASAC-UHFFFAOYSA-N
MW375.52 g/mol
LogP0.56
Rot. Bonds6

About N,N-dimethyl-3-[3-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide

N,N-dimethyl-3-[3-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide (PubChem CID 119960974) has the molecular formula C15H25N3O4S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide
PubChem CID119960974
Molecular FormulaC15H25N3O4S2
Molecular Weight375.52 g/mol
Exact Mass375.13
IUPAC NameN,N-dimethyl-3-[3-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide
SMILESCNCC1CCCN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1
InChIInChI=1S/C15H25N3O4S2/c1-16-11-13-6-5-9-18(12-13)24(21,22)15-8-4-7-14(10-15)23(19,20)17(2)3/h4,7-8,10,13,16H,5-6,9,11-12H2,1-3H3
InChIKeyWSZIBTOSAHASAC-UHFFFAOYSA-N
XLogP0.56
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961100
N-methyl-1-[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977852
N-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 120998970
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
1-[1-(3-iodophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961461
1-[1-(3-ethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961401
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61204741
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961182
1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124684745
2-chloro-4-[3-(methylaminomethyl)piperidin-1-yl]sulfonylbenzonitrile;hydrochloride
CID 119961304
2-methyl-4-[3-(methylaminomethyl)piperidin-1-yl]sulfonylbenzonitrile;hydrochloride
CID 120999026
1-[1-[3-(methoxymethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 119977844

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[3-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide (CID 119960974) is N,N-dimethyl-3-[3-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[3-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[3-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide is CNCC1CCCN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1.
What is the InChIKey of N,N-dimethyl-3-[3-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The InChIKey is WSZIBTOSAHASAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S2/c1-16-11-13-6-5-9-18(12-13)24(21,22)15-8-4-7-14(10-15)23(19,20)17(2)3/h4,7-8,10,13,16H,5-6,9,11-12H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[3-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide?
N,N-dimethyl-3-[3-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide has a molecular weight of 375.52 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 119960974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).