4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-methylmorpholine

C11H13N3O3S2 — CID 46677358

IUPAC4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-methylmorpholine
SMILESCC1CN(S(=O)(=O)c2cccc3nsnc23)CCO1
InChIInChI=1S/C11H13N3O3S2/c1-8-7-14(5-6-17-8)19(15,16)10-4-2-3-9-11(10)13-18-12-9/h2-4,8H,5-7H2,1H3
InChIKeyZRNICTQVVLKOMQ-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.10
Rot. Bonds2

About 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-methylmorpholine

4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-methylmorpholine (PubChem CID 46677358) has the molecular formula C11H13N3O3S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-methylmorpholine.

Molecular Properties

Compound Name4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-methylmorpholine
PubChem CID46677358
Molecular FormulaC11H13N3O3S2
Molecular Weight299.38 g/mol
Exact Mass299.04
IUPAC Name4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-methylmorpholine
SMILESCC1CN(S(=O)(=O)c2cccc3nsnc23)CCO1
InChIInChI=1S/C11H13N3O3S2/c1-8-7-14(5-6-17-8)19(15,16)10-4-2-3-9-11(10)13-18-12-9/h2-4,8H,5-7H2,1H3
InChIKeyZRNICTQVVLKOMQ-UHFFFAOYSA-N
XLogP1.10
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)morpholin-2-yl]methanamine
CID 114398484
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole
CID 5060907
4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-(pyrimidin-2-yloxymethyl)morpholine
CID 74224060
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300390
(3S,4S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-3,4-diol
CID 56898413
(1S,5R)-3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
CID 163339965
(3R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-amine
CID 102977572
1-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-3-yl]ethanamine
CID 103976004
1-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63263791
2-(2-methylmorpholin-4-yl)sulfonylphenol
CID 81239969
4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-methylpiperazin-2-one
CID 63362936
N-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 48737430

Frequently Asked Questions

What is the IUPAC name of 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-methylmorpholine?
The IUPAC name of 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-methylmorpholine (CID 46677358) is 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-methylmorpholine.
What is the SMILES notation for 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-methylmorpholine?
The canonical SMILES for 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-methylmorpholine is CC1CN(S(=O)(=O)c2cccc3nsnc23)CCO1.
What is the InChIKey of 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-methylmorpholine?
The InChIKey is ZRNICTQVVLKOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S2/c1-8-7-14(5-6-17-8)19(15,16)10-4-2-3-9-11(10)13-18-12-9/h2-4,8H,5-7H2,1H3.
What are the key properties of 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-methylmorpholine?
4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-methylmorpholine has a molecular weight of 299.38 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-methylmorpholine is sourced from PubChem (CID 46677358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).