[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)morpholin-2-yl]methanamine

C11H14N4O3S2 — CID 114398484

IUPAC[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)morpholin-2-yl]methanamine
SMILESNCC1CN(S(=O)(=O)c2cccc3nsnc23)CCO1
InChIInChI=1S/C11H14N4O3S2/c12-6-8-7-15(4-5-18-8)20(16,17)10-3-1-2-9-11(10)14-19-13-9/h1-3,8H,4-7,12H2
InChIKeyHGVYMZWKWPDUGZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.04
Rot. Bonds3

About [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)morpholin-2-yl]methanamine

[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)morpholin-2-yl]methanamine (PubChem CID 114398484) has the molecular formula C11H14N4O3S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)morpholin-2-yl]methanamine
PubChem CID114398484
Molecular FormulaC11H14N4O3S2
Molecular Weight314.39 g/mol
Exact Mass314.05
IUPAC Name[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)morpholin-2-yl]methanamine
SMILESNCC1CN(S(=O)(=O)c2cccc3nsnc23)CCO1
InChIInChI=1S/C11H14N4O3S2/c12-6-8-7-15(4-5-18-8)20(16,17)10-3-1-2-9-11(10)14-19-13-9/h1-3,8H,4-7,12H2
InChIKeyHGVYMZWKWPDUGZ-UHFFFAOYSA-N
XLogP0.04
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-(pyrimidin-2-yloxymethyl)morpholine
CID 74224060
4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-methylmorpholine
CID 46677358
[4-(2,3-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398436
(3S,4S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-3,4-diol
CID 56898413
(3R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-amine
CID 102977572
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300390
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
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole
CID 5060907
4-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 121197780
(1S,5R)-3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
CID 163339965
(3R,4R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-4-fluoropyrrolidin-3-ol
CID 131927977

Frequently Asked Questions

What is the IUPAC name of [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)morpholin-2-yl]methanamine?
The IUPAC name of [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)morpholin-2-yl]methanamine (CID 114398484) is [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)morpholin-2-yl]methanamine.
What is the SMILES notation for [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)morpholin-2-yl]methanamine?
The canonical SMILES for [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)morpholin-2-yl]methanamine is NCC1CN(S(=O)(=O)c2cccc3nsnc23)CCO1.
What is the InChIKey of [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)morpholin-2-yl]methanamine?
The InChIKey is HGVYMZWKWPDUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S2/c12-6-8-7-15(4-5-18-8)20(16,17)10-3-1-2-9-11(10)14-19-13-9/h1-3,8H,4-7,12H2.
What are the key properties of [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)morpholin-2-yl]methanamine?
[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)morpholin-2-yl]methanamine has a molecular weight of 314.39 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)morpholin-2-yl]methanamine is sourced from PubChem (CID 114398484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).