5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine

C9H15N3O3S2 — CID 126422400

IUPAC5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine
SMILESC[C@H]1CN(S(=O)(=O)c2cnc(N)s2)C[C@H](C)O1
InChIInChI=1S/C9H15N3O3S2/c1-6-4-12(5-7(2)15-6)17(13,14)8-3-11-9(10)16-8/h3,6-7H,4-5H2,1-2H3,(H2,10,11)/t6-,7-/m0/s1
InChIKeyVRBXSLRRGAAXFH-BQBZGAKWSA-N
MW277.37 g/mol
LogP0.52
Rot. Bonds2

About 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine

5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine (PubChem CID 126422400) has the molecular formula C9H15N3O3S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine
PubChem CID126422400
Molecular FormulaC9H15N3O3S2
Molecular Weight277.37 g/mol
Exact Mass277.06
IUPAC Name5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine
SMILESC[C@H]1CN(S(=O)(=O)c2cnc(N)s2)C[C@H](C)O1
InChIInChI=1S/C9H15N3O3S2/c1-6-4-12(5-7(2)15-6)17(13,14)8-3-11-9(10)16-8/h3,6-7H,4-5H2,1-2H3,(H2,10,11)/t6-,7-/m0/s1
InChIKeyVRBXSLRRGAAXFH-BQBZGAKWSA-N
XLogP0.52
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine
CID 126422401
2-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole
CID 43455811
2,6-dimethyl-4-thiophen-2-ylsulfonylmorpholine
CID 2942574
2-amino-1,3-thiazole-5-sulfonate
CID 7060026
(3R,4S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3,4-diol
CID 104600170
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-1-methylpyrazol-3-amine
CID 60814514
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-methylthiophene-2-carboxylic acid
CID 104958042
3,5-dichloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylaniline
CID 43257069
2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpyrazol-1-yl]ethanamine
CID 104961664
2-amino-1,3-thiazole-5-sulfonic acid
CID 2829719
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide
CID 788068
(2S,6R)-4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2,6-dimethylmorpholine
CID 103931384

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine (CID 126422400) is 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine is C[C@H]1CN(S(=O)(=O)c2cnc(N)s2)C[C@H](C)O1.
What is the InChIKey of 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine?
The InChIKey is VRBXSLRRGAAXFH-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H15N3O3S2/c1-6-4-12(5-7(2)15-6)17(13,14)8-3-11-9(10)16-8/h3,6-7H,4-5H2,1-2H3,(H2,10,11)/t6-,7-/m0/s1.
What are the key properties of 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine?
5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine has a molecular weight of 277.37 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine is sourced from PubChem (CID 126422400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).