5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine

C9H15N3O2S3 — CID 79773868

IUPAC5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCS(=O)(=O)C1CSCCN1Cc1cnc(N)s1
InChIInChI=1S/C9H15N3O2S3/c1-17(13,14)8-6-15-3-2-12(8)5-7-4-11-9(10)16-7/h4,8H,2-3,5-6H2,1H3,(H2,10,11)
InChIKeyODNJRTCQEDEQNL-UHFFFAOYSA-N
MW293.44 g/mol
LogP0.64
Rot. Bonds3

About 5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine

5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 79773868) has the molecular formula C9H15N3O2S3 and a molecular weight of 293.44 g/mol. Its IUPAC name is 5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine
PubChem CID79773868
Molecular FormulaC9H15N3O2S3
Molecular Weight293.44 g/mol
Exact Mass293.03
IUPAC Name5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCS(=O)(=O)C1CSCCN1Cc1cnc(N)s1
InChIInChI=1S/C9H15N3O2S3/c1-17(13,14)8-6-15-3-2-12(8)5-7-4-11-9(10)16-7/h4,8H,2-3,5-6H2,1H3,(H2,10,11)
InChIKeyODNJRTCQEDEQNL-UHFFFAOYSA-N
XLogP0.64
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine (CID 79773868) is 5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine is CS(=O)(=O)C1CSCCN1Cc1cnc(N)s1.
What is the InChIKey of 5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is ODNJRTCQEDEQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S3/c1-17(13,14)8-6-15-3-2-12(8)5-7-4-11-9(10)16-7/h4,8H,2-3,5-6H2,1H3,(H2,10,11).
What are the key properties of 5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine?
5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 293.44 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79773868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).