1-methyl-3-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-2λ6,1,3-benzothiadiazole 2,2-dioxide

C16H24N4O5S2 — CID 119103189

IUPAC1-methyl-3-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-2λ6,1,3-benzothiadiazole 2,2-dioxide
SMILESCN1c2ccccc2N(C2CCN(S(=O)(=O)N3CCOCC3)CC2)S1(=O)=O
InChIInChI=1S/C16H24N4O5S2/c1-17-15-4-2-3-5-16(15)20(26(17,21)22)14-6-8-18(9-7-14)27(23,24)19-10-12-25-13-11-19/h2-5,14H,6-13H2,1H3
InChIKeyOSZITJWWAIMZCZ-UHFFFAOYSA-N
MW416.53 g/mol
LogP0.23
Rot. Bonds3

About 1-methyl-3-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-2λ6,1,3-benzothiadiazole 2,2-dioxide

1-methyl-3-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-2λ6,1,3-benzothiadiazole 2,2-dioxide (PubChem CID 119103189) has the molecular formula C16H24N4O5S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-methyl-3-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-2λ6,1,3-benzothiadiazole 2,2-dioxide.

Molecular Properties

Compound Name1-methyl-3-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-2λ6,1,3-benzothiadiazole 2,2-dioxide
PubChem CID119103189
Molecular FormulaC16H24N4O5S2
Molecular Weight416.53 g/mol
Exact Mass416.12
IUPAC Name1-methyl-3-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-2λ6,1,3-benzothiadiazole 2,2-dioxide
SMILESCN1c2ccccc2N(C2CCN(S(=O)(=O)N3CCOCC3)CC2)S1(=O)=O
InChIInChI=1S/C16H24N4O5S2/c1-17-15-4-2-3-5-16(15)20(26(17,21)22)14-6-8-18(9-7-14)27(23,24)19-10-12-25-13-11-19/h2-5,14H,6-13H2,1H3
InChIKeyOSZITJWWAIMZCZ-UHFFFAOYSA-N
XLogP0.23
TPSA90.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-2λ6,1,3-benzothiadiazole 2,2-dioxide with MolForge

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Related Compounds

1-methyl-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-2λ6,1,3-benzothiadiazole 2,2-dioxide
CID 119103188
3-methyl-1-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]but-2-en-1-one
CID 119103152
[(2R,3S)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone
CID 129357320
3,3,3-trifluoro-1-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 119103155
N-methyl-2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]acetamide
CID 121020389
N-(2-chlorophenyl)-4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidine-1-carboxamide
CID 121020401
4-[1-(4-methylpiperazin-1-yl)sulfonylpiperidin-4-yl]morpholine
CID 166272653
4-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonylmorpholine
CID 97143928
N-(1-morpholin-4-ylsulfonylpiperidin-4-yl)benzamide
CID 46514703
2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone
CID 22552708
2-[(3R)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]benzoic acid
CID 95710485
4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylmorpholine
CID 35582506

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The IUPAC name of 1-methyl-3-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-2λ6,1,3-benzothiadiazole 2,2-dioxide (CID 119103189) is 1-methyl-3-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-2λ6,1,3-benzothiadiazole 2,2-dioxide.
What is the SMILES notation for 1-methyl-3-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The canonical SMILES for 1-methyl-3-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-2λ6,1,3-benzothiadiazole 2,2-dioxide is CN1c2ccccc2N(C2CCN(S(=O)(=O)N3CCOCC3)CC2)S1(=O)=O.
What is the InChIKey of 1-methyl-3-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The InChIKey is OSZITJWWAIMZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O5S2/c1-17-15-4-2-3-5-16(15)20(26(17,21)22)14-6-8-18(9-7-14)27(23,24)19-10-12-25-13-11-19/h2-5,14H,6-13H2,1H3.
What are the key properties of 1-methyl-3-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-2λ6,1,3-benzothiadiazole 2,2-dioxide?
1-methyl-3-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-2λ6,1,3-benzothiadiazole 2,2-dioxide has a molecular weight of 416.53 g/mol, XLogP of 0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-2λ6,1,3-benzothiadiazole 2,2-dioxide is sourced from PubChem (CID 119103189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).