O-methyl N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]carbamothioate

C14H20N2O2S — CID 6934493

IUPACO-methyl N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]carbamothioate
SMILESCOC(=S)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C14H20N2O2S/c1-10-8-16(9-11(2)18-10)13-6-4-12(5-7-13)15-14(19)17-3/h4-7,10-11H,8-9H2,1-3H3,(H,15,19)/t10-,11-/m1/s1
InChIKeyULYNWOLMGAATCZ-GHMZBOCLSA-N
MW280.39 g/mol
LogP2.64
Rot. Bonds2

About O-methyl N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]carbamothioate

O-methyl N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]carbamothioate (PubChem CID 6934493) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is O-methyl N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]carbamothioate.

Molecular Properties

Compound NameO-methyl N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]carbamothioate
PubChem CID6934493
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameO-methyl N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]carbamothioate
SMILESCOC(=S)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C14H20N2O2S/c1-10-8-16(9-11(2)18-10)13-6-4-12(5-7-13)15-14(19)17-3/h4-7,10-11H,8-9H2,1-3H3,(H,15,19)/t10-,11-/m1/s1
InChIKeyULYNWOLMGAATCZ-GHMZBOCLSA-N
XLogP2.64
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine
CID 166696094
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-propan-2-ylurea
CID 49283001
1-(cyclopropylmethyl)-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea
CID 94336075
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]thiomorpholine-4-carboxamide
CID 95302613
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(3-methoxypropyl)urea
CID 94336259
1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(furan-2-ylmethyl)thiourea
CID 6924142
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline
CID 118407332
4-amino-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide
CID 70892650
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(2-ethoxyethyl)urea
CID 94336084
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanesulfonamide
CID 7068957
tert-butyl (2S)-2-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]carbamoylamino]-3-methylbutanoate
CID 97225791
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol
CID 93023320

Frequently Asked Questions

What is the IUPAC name of O-methyl N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]carbamothioate?
The IUPAC name of O-methyl N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]carbamothioate (CID 6934493) is O-methyl N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]carbamothioate.
What is the SMILES notation for O-methyl N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]carbamothioate?
The canonical SMILES for O-methyl N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]carbamothioate is COC(=S)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1.
What is the InChIKey of O-methyl N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]carbamothioate?
The InChIKey is ULYNWOLMGAATCZ-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10-8-16(9-11(2)18-10)13-6-4-12(5-7-13)15-14(19)17-3/h4-7,10-11H,8-9H2,1-3H3,(H,15,19)/t10-,11-/m1/s1.
What are the key properties of O-methyl N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]carbamothioate?
O-methyl N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]carbamothioate has a molecular weight of 280.39 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-methyl N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]carbamothioate is sourced from PubChem (CID 6934493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).