(Z,3R,4R)-N-methoxy-3,4-dimethyl-3-(phenylsulfanylmethyl)oxolan-2-imine

C14H19NO2S — CID 177457344

IUPAC(Z,3R,4R)-N-methoxy-3,4-dimethyl-3-(phenylsulfanylmethyl)oxolan-2-imine
SMILESCO/N=C1\OC[C@H](C)[C@@]1(C)CSc1ccccc1
InChIInChI=1S/C14H19NO2S/c1-11-9-17-13(15-16-3)14(11,2)10-18-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3/b15-13-/t11-,14+/m0/s1
InChIKeyFATIPXKIELCFAT-VVMTZGJBSA-N
MW265.38 g/mol
LogP3.41
Rot. Bonds4

About (Z,3R,4R)-N-methoxy-3,4-dimethyl-3-(phenylsulfanylmethyl)oxolan-2-imine

(Z,3R,4R)-N-methoxy-3,4-dimethyl-3-(phenylsulfanylmethyl)oxolan-2-imine (PubChem CID 177457344) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is (Z,3R,4R)-N-methoxy-3,4-dimethyl-3-(phenylsulfanylmethyl)oxolan-2-imine.

Molecular Properties

Compound Name(Z,3R,4R)-N-methoxy-3,4-dimethyl-3-(phenylsulfanylmethyl)oxolan-2-imine
PubChem CID177457344
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name(Z,3R,4R)-N-methoxy-3,4-dimethyl-3-(phenylsulfanylmethyl)oxolan-2-imine
SMILESCO/N=C1\OC[C@H](C)[C@@]1(C)CSc1ccccc1
InChIInChI=1S/C14H19NO2S/c1-11-9-17-13(15-16-3)14(11,2)10-18-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3/b15-13-/t11-,14+/m0/s1
InChIKeyFATIPXKIELCFAT-VVMTZGJBSA-N
XLogP3.41
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,3R,4R)-N-methoxy-3,4-dimethyl-3-(phenylsulfanylmethyl)oxolan-2-imine?
The IUPAC name of (Z,3R,4R)-N-methoxy-3,4-dimethyl-3-(phenylsulfanylmethyl)oxolan-2-imine (CID 177457344) is (Z,3R,4R)-N-methoxy-3,4-dimethyl-3-(phenylsulfanylmethyl)oxolan-2-imine.
What is the SMILES notation for (Z,3R,4R)-N-methoxy-3,4-dimethyl-3-(phenylsulfanylmethyl)oxolan-2-imine?
The canonical SMILES for (Z,3R,4R)-N-methoxy-3,4-dimethyl-3-(phenylsulfanylmethyl)oxolan-2-imine is CO/N=C1\OC[C@H](C)[C@@]1(C)CSc1ccccc1.
What is the InChIKey of (Z,3R,4R)-N-methoxy-3,4-dimethyl-3-(phenylsulfanylmethyl)oxolan-2-imine?
The InChIKey is FATIPXKIELCFAT-VVMTZGJBSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-11-9-17-13(15-16-3)14(11,2)10-18-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3/b15-13-/t11-,14+/m0/s1.
What are the key properties of (Z,3R,4R)-N-methoxy-3,4-dimethyl-3-(phenylsulfanylmethyl)oxolan-2-imine?
(Z,3R,4R)-N-methoxy-3,4-dimethyl-3-(phenylsulfanylmethyl)oxolan-2-imine has a molecular weight of 265.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R,4R)-N-methoxy-3,4-dimethyl-3-(phenylsulfanylmethyl)oxolan-2-imine is sourced from PubChem (CID 177457344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).