N,N-dimethyl-4-(quinolin-8-ylmethyl)piperazine-1-sulfonamide

C16H22N4O2S — CID 34787759

IUPACN,N-dimethyl-4-(quinolin-8-ylmethyl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C16H22N4O2S/c1-18(2)23(21,22)20-11-9-19(10-12-20)13-15-6-3-5-14-7-4-8-17-16(14)15/h3-8H,9-13H2,1-2H3
InChIKeyWMRWYWVBWAHWQT-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.16
Rot. Bonds4

About N,N-dimethyl-4-(quinolin-8-ylmethyl)piperazine-1-sulfonamide

N,N-dimethyl-4-(quinolin-8-ylmethyl)piperazine-1-sulfonamide (PubChem CID 34787759) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is N,N-dimethyl-4-(quinolin-8-ylmethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(quinolin-8-ylmethyl)piperazine-1-sulfonamide
PubChem CID34787759
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC NameN,N-dimethyl-4-(quinolin-8-ylmethyl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C16H22N4O2S/c1-18(2)23(21,22)20-11-9-19(10-12-20)13-15-6-3-5-14-7-4-8-17-16(14)15/h3-8H,9-13H2,1-2H3
InChIKeyWMRWYWVBWAHWQT-UHFFFAOYSA-N
XLogP1.16
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 16621991
8-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]quinoline
CID 31864845
8-[[4-(2-chloro-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methyl]quinoline
CID 55598876
8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline
CID 30385370
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 17451460
1-(quinolin-8-ylmethyl)piperidine-4-carbaldehyde
CID 62654466
8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline
CID 18131319
N-methoxy-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55706599
3-methyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 32742377
8-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-6-fluoroquinoline
CID 46405422
4-(hydroxymethyl)-1-(quinolin-8-ylmethyl)piperidin-4-ol
CID 56760267

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(quinolin-8-ylmethyl)piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-(quinolin-8-ylmethyl)piperazine-1-sulfonamide (CID 34787759) is N,N-dimethyl-4-(quinolin-8-ylmethyl)piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(quinolin-8-ylmethyl)piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-(quinolin-8-ylmethyl)piperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(Cc2cccc3cccnc23)CC1.
What is the InChIKey of N,N-dimethyl-4-(quinolin-8-ylmethyl)piperazine-1-sulfonamide?
The InChIKey is WMRWYWVBWAHWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-18(2)23(21,22)20-11-9-19(10-12-20)13-15-6-3-5-14-7-4-8-17-16(14)15/h3-8H,9-13H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(quinolin-8-ylmethyl)piperazine-1-sulfonamide?
N,N-dimethyl-4-(quinolin-8-ylmethyl)piperazine-1-sulfonamide has a molecular weight of 334.44 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(quinolin-8-ylmethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 34787759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).