[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-[[[(3S)-thian-3-yl]amino]methyl]phenyl]methanone

C19H28N2O2S — CID 99853621

IUPAC[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-[[[(3S)-thian-3-yl]amino]methyl]phenyl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(CN[C@H]3CCCSC3)cc2)C[C@H](C)O1
InChIInChI=1S/C19H28N2O2S/c1-14-11-21(12-15(2)23-14)19(22)17-7-5-16(6-8-17)10-20-18-4-3-9-24-13-18/h5-8,14-15,18,20H,3-4,9-13H2,1-2H3/t14-,15+,18-/m0/s1
InChIKeyBARYONQRSUIQQI-DAYGRLMNSA-N
MW348.51 g/mol
LogP2.92
Rot. Bonds4

About [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-[[[(3S)-thian-3-yl]amino]methyl]phenyl]methanone

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-[[[(3S)-thian-3-yl]amino]methyl]phenyl]methanone (PubChem CID 99853621) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-[[[(3S)-thian-3-yl]amino]methyl]phenyl]methanone.

Molecular Properties

Compound Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-[[[(3S)-thian-3-yl]amino]methyl]phenyl]methanone
PubChem CID99853621
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-[[[(3S)-thian-3-yl]amino]methyl]phenyl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(CN[C@H]3CCCSC3)cc2)C[C@H](C)O1
InChIInChI=1S/C19H28N2O2S/c1-14-11-21(12-15(2)23-14)19(22)17-7-5-16(6-8-17)10-20-18-4-3-9-24-13-18/h5-8,14-15,18,20H,3-4,9-13H2,1-2H3/t14-,15+,18-/m0/s1
InChIKeyBARYONQRSUIQQI-DAYGRLMNSA-N
XLogP2.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-[[[(3S)-thian-3-yl]amino]methyl]phenyl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

1-cyclopentyl-3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 110990252
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
1-(cyclobutylmethyl)-3-[[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]urea
CID 95225967
4-[[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122033835
methyl 4-[(thiolan-3-ylamino)methyl]benzoate
CID 103923433
N-[(4-methylsulfanylphenyl)methyl]thian-3-amine
CID 115676008
3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 146081496
N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210928
[4-(2-methyl-6-phenylmorpholine-4-carbonyl)phenyl]methylurea
CID 47914258
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanone
CID 124730185
N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperidine-3-carboxamide
CID 119305558
N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119752614

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-[[[(3S)-thian-3-yl]amino]methyl]phenyl]methanone?
The IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-[[[(3S)-thian-3-yl]amino]methyl]phenyl]methanone (CID 99853621) is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-[[[(3S)-thian-3-yl]amino]methyl]phenyl]methanone.
What is the SMILES notation for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-[[[(3S)-thian-3-yl]amino]methyl]phenyl]methanone?
The canonical SMILES for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-[[[(3S)-thian-3-yl]amino]methyl]phenyl]methanone is C[C@@H]1CN(C(=O)c2ccc(CN[C@H]3CCCSC3)cc2)C[C@H](C)O1.
What is the InChIKey of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-[[[(3S)-thian-3-yl]amino]methyl]phenyl]methanone?
The InChIKey is BARYONQRSUIQQI-DAYGRLMNSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-14-11-21(12-15(2)23-14)19(22)17-7-5-16(6-8-17)10-20-18-4-3-9-24-13-18/h5-8,14-15,18,20H,3-4,9-13H2,1-2H3/t14-,15+,18-/m0/s1.
What are the key properties of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-[[[(3S)-thian-3-yl]amino]methyl]phenyl]methanone?
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-[[[(3S)-thian-3-yl]amino]methyl]phenyl]methanone has a molecular weight of 348.51 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-[[[(3S)-thian-3-yl]amino]methyl]phenyl]methanone is sourced from PubChem (CID 99853621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).