4-[[(2-methylpropan-2-yl)oxy-(2-methylpropoxy)phosphoryl]sulfanylmethyl]morpholine

C13H28NO4PS — CID 146397069

IUPAC4-[[(2-methylpropan-2-yl)oxy-(2-methylpropoxy)phosphoryl]sulfanylmethyl]morpholine
SMILESCC(C)COP(=O)(OC(C)(C)C)SCN1CCOCC1
InChIInChI=1S/C13H28NO4PS/c1-12(2)10-17-19(15,18-13(3,4)5)20-11-14-6-8-16-9-7-14/h12H,6-11H2,1-5H3
InChIKeyADZXGXIZQOSJKV-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.61
Rot. Bonds7

About 4-[[(2-methylpropan-2-yl)oxy-(2-methylpropoxy)phosphoryl]sulfanylmethyl]morpholine

4-[[(2-methylpropan-2-yl)oxy-(2-methylpropoxy)phosphoryl]sulfanylmethyl]morpholine (PubChem CID 146397069) has the molecular formula C13H28NO4PS and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[[(2-methylpropan-2-yl)oxy-(2-methylpropoxy)phosphoryl]sulfanylmethyl]morpholine.

Molecular Properties

Compound Name4-[[(2-methylpropan-2-yl)oxy-(2-methylpropoxy)phosphoryl]sulfanylmethyl]morpholine
PubChem CID146397069
Molecular FormulaC13H28NO4PS
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name4-[[(2-methylpropan-2-yl)oxy-(2-methylpropoxy)phosphoryl]sulfanylmethyl]morpholine
SMILESCC(C)COP(=O)(OC(C)(C)C)SCN1CCOCC1
InChIInChI=1S/C13H28NO4PS/c1-12(2)10-17-19(15,18-13(3,4)5)20-11-14-6-8-16-9-7-14/h12H,6-11H2,1-5H3
InChIKeyADZXGXIZQOSJKV-UHFFFAOYSA-N
XLogP3.61
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

morpholin-4-ylmethylsulfanylphosphonic acid
CID 129026686
4-[[2-methylpentan-3-yl(propoxy)phosphoryl]sulfanylmethyl]morpholine
CID 134232896
2-[(2-methylpropan-2-yl)oxy-pentan-2-yloxyphosphoryl]sulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 134232893
2-[3-methylbutoxy-[(2-methylpropan-2-yl)oxy]phosphinothioyl]sulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 134232921
tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate
CID 58441909
2-[(2-methylpropan-2-yl)oxy-methylsulfanylphosphoryl]sulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 126560039
2-[bis(3-methylpentan-3-yloxy)phosphoryloxy]ethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 139303195
tert-butyl 2-(3-morpholin-4-ylpropylamino)propanoate
CID 66336839
2-methylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 59040980
tert-butyl 4-hydroxy-2-methyl-5-morpholin-4-ylpentanoate
CID 121437761
2-morpholin-4-ylethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 70818235
tert-butyl 2-[7,13,16-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,10-dioxa-4,7,13,16-tetrazacyclooctadec-4-yl]acetate;ethane
CID 156838383

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methylpropan-2-yl)oxy-(2-methylpropoxy)phosphoryl]sulfanylmethyl]morpholine?
The IUPAC name of 4-[[(2-methylpropan-2-yl)oxy-(2-methylpropoxy)phosphoryl]sulfanylmethyl]morpholine (CID 146397069) is 4-[[(2-methylpropan-2-yl)oxy-(2-methylpropoxy)phosphoryl]sulfanylmethyl]morpholine.
What is the SMILES notation for 4-[[(2-methylpropan-2-yl)oxy-(2-methylpropoxy)phosphoryl]sulfanylmethyl]morpholine?
The canonical SMILES for 4-[[(2-methylpropan-2-yl)oxy-(2-methylpropoxy)phosphoryl]sulfanylmethyl]morpholine is CC(C)COP(=O)(OC(C)(C)C)SCN1CCOCC1.
What is the InChIKey of 4-[[(2-methylpropan-2-yl)oxy-(2-methylpropoxy)phosphoryl]sulfanylmethyl]morpholine?
The InChIKey is ADZXGXIZQOSJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28NO4PS/c1-12(2)10-17-19(15,18-13(3,4)5)20-11-14-6-8-16-9-7-14/h12H,6-11H2,1-5H3.
What are the key properties of 4-[[(2-methylpropan-2-yl)oxy-(2-methylpropoxy)phosphoryl]sulfanylmethyl]morpholine?
4-[[(2-methylpropan-2-yl)oxy-(2-methylpropoxy)phosphoryl]sulfanylmethyl]morpholine has a molecular weight of 325.41 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methylpropan-2-yl)oxy-(2-methylpropoxy)phosphoryl]sulfanylmethyl]morpholine is sourced from PubChem (CID 146397069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).