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

C9H15N3O3S2 — CID 126422401

IUPAC5-[(2R,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+
InChIKeyVRBXSLRRGAAXFH-KNVOCYPGSA-N
MW277.37 g/mol
LogP0.52
Rot. Bonds2

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

5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine (PubChem CID 126422401) has the molecular formula C9H15N3O3S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine
PubChem CID126422401
Molecular FormulaC9H15N3O3S2
Molecular Weight277.37 g/mol
Exact Mass277.06
IUPAC Name5-[(2R,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+
InChIKeyVRBXSLRRGAAXFH-KNVOCYPGSA-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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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine (CID 126422401) is 5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2R,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-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine?
The InChIKey is VRBXSLRRGAAXFH-KNVOCYPGSA-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+.
What are the key properties of 5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine?
5-[(2R,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-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine is sourced from PubChem (CID 126422401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).