2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine

C13H23N3O3S2 — CID 51963789

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCc1nc(CNCCS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cs1
InChIInChI=1S/C13H23N3O3S2/c1-10-7-16(8-11(2)19-10)21(17,18)5-4-14-6-13-9-20-12(3)15-13/h9-11,14H,4-8H2,1-3H3/t10-,11+
InChIKeyVTBSRUIXWVFNAZ-PHIMTYICSA-N
MW333.48 g/mol
LogP0.98
Rot. Bonds6

About 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 51963789) has the molecular formula C13H23N3O3S2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID51963789
Molecular FormulaC13H23N3O3S2
Molecular Weight333.48 g/mol
Exact Mass333.12
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCc1nc(CNCCS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cs1
InChIInChI=1S/C13H23N3O3S2/c1-10-7-16(8-11(2)19-10)21(17,18)5-4-14-6-13-9-20-12(3)15-13/h9-11,14H,4-8H2,1-3H3/t10-,11+
InChIKeyVTBSRUIXWVFNAZ-PHIMTYICSA-N
XLogP0.98
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine (CID 51963789) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine is Cc1nc(CNCCS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cs1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is VTBSRUIXWVFNAZ-PHIMTYICSA-N. The full InChI is InChI=1S/C13H23N3O3S2/c1-10-7-16(8-11(2)19-10)21(17,18)5-4-14-6-13-9-20-12(3)15-13/h9-11,14H,4-8H2,1-3H3/t10-,11+.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 333.48 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 51963789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).