N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]acetamide

C17H24N2O2S — CID 95630096

IUPACN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]acetamide
SMILESC[C@@H]1SCCN(CC(=O)N[C@@H]2CCOc3ccccc32)[C@H]1C
InChIInChI=1S/C17H24N2O2S/c1-12-13(2)22-10-8-19(12)11-17(20)18-15-7-9-21-16-6-4-3-5-14(15)16/h3-6,12-13,15H,7-11H2,1-2H3,(H,18,20)/t12-,13-,15+/m0/s1
InChIKeyBPIWVFYISALRME-KCQAQPDRSA-N
MW320.46 g/mol
LogP2.45
Rot. Bonds3

About N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]acetamide

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]acetamide (PubChem CID 95630096) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]acetamide
PubChem CID95630096
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]acetamide
SMILESC[C@@H]1SCCN(CC(=O)N[C@@H]2CCOc3ccccc32)[C@H]1C
InChIInChI=1S/C17H24N2O2S/c1-12-13(2)22-10-8-19(12)11-17(20)18-15-7-9-21-16-6-4-3-5-14(15)16/h3-6,12-13,15H,7-11H2,1-2H3,(H,18,20)/t12-,13-,15+/m0/s1
InChIKeyBPIWVFYISALRME-KCQAQPDRSA-N
XLogP2.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[2-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 124703387
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CID 97090832
5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]acetamide?
The IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]acetamide (CID 95630096) is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]acetamide.
What is the SMILES notation for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]acetamide?
The canonical SMILES for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]acetamide is C[C@@H]1SCCN(CC(=O)N[C@@H]2CCOc3ccccc32)[C@H]1C.
What is the InChIKey of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]acetamide?
The InChIKey is BPIWVFYISALRME-KCQAQPDRSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-12-13(2)22-10-8-19(12)11-17(20)18-15-7-9-21-16-6-4-3-5-14(15)16/h3-6,12-13,15H,7-11H2,1-2H3,(H,18,20)/t12-,13-,15+/m0/s1.
What are the key properties of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]acetamide?
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]acetamide has a molecular weight of 320.46 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]acetamide is sourced from PubChem (CID 95630096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).