4-[[2-methylpentan-3-yl(propoxy)phosphoryl]sulfanylmethyl]morpholine

C14H30NO3PS — CID 134232896

IUPAC4-[[2-methylpentan-3-yl(propoxy)phosphoryl]sulfanylmethyl]morpholine
SMILESCCCOP(=O)(SCN1CCOCC1)C(CC)C(C)C
InChIInChI=1S/C14H30NO3PS/c1-5-9-18-19(16,14(6-2)13(3)4)20-12-15-7-10-17-11-8-15/h13-14H,5-12H2,1-4H3
InChIKeyNSBYOWMLCTUYRK-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.06
Rot. Bonds9

About 4-[[2-methylpentan-3-yl(propoxy)phosphoryl]sulfanylmethyl]morpholine

4-[[2-methylpentan-3-yl(propoxy)phosphoryl]sulfanylmethyl]morpholine (PubChem CID 134232896) has the molecular formula C14H30NO3PS and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-[[2-methylpentan-3-yl(propoxy)phosphoryl]sulfanylmethyl]morpholine.

Molecular Properties

Compound Name4-[[2-methylpentan-3-yl(propoxy)phosphoryl]sulfanylmethyl]morpholine
PubChem CID134232896
Molecular FormulaC14H30NO3PS
Molecular Weight323.44 g/mol
Exact Mass323.17
IUPAC Name4-[[2-methylpentan-3-yl(propoxy)phosphoryl]sulfanylmethyl]morpholine
SMILESCCCOP(=O)(SCN1CCOCC1)C(CC)C(C)C
InChIInChI=1S/C14H30NO3PS/c1-5-9-18-19(16,14(6-2)13(3)4)20-12-15-7-10-17-11-8-15/h13-14H,5-12H2,1-4H3
InChIKeyNSBYOWMLCTUYRK-UHFFFAOYSA-N
XLogP4.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methylpropan-2-yl)oxy-(2-methylpropoxy)phosphoryl]sulfanylmethyl]morpholine
CID 146397069
2-morpholin-4-ylethyl 2-ethylpentanoate
CID 144660148
2-morpholin-4-ylethyl 2-bromobutanoate
CID 118876089
ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
CID 70159679
methyl 2-(morpholin-4-ylmethyl)butanoate
CID 117242059
ethane;1-methoxybutane;4-(2-methylpropyl)morpholine
CID 163400303
ethane;4-ethylmorpholine;propan-2-ol
CID 172575881
butane;4-(2-methylpropyl)morpholine
CID 155751822
(2S)-2,4-dimethyl-1-morpholin-4-ylhexan-3-one
CID 165399162
3-methyl-2-morpholin-4-ylpentanoic acid
CID 61319548
ethane;4-(2-propoxyethyl)morpholine
CID 154661305

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methylpentan-3-yl(propoxy)phosphoryl]sulfanylmethyl]morpholine?
The IUPAC name of 4-[[2-methylpentan-3-yl(propoxy)phosphoryl]sulfanylmethyl]morpholine (CID 134232896) is 4-[[2-methylpentan-3-yl(propoxy)phosphoryl]sulfanylmethyl]morpholine.
What is the SMILES notation for 4-[[2-methylpentan-3-yl(propoxy)phosphoryl]sulfanylmethyl]morpholine?
The canonical SMILES for 4-[[2-methylpentan-3-yl(propoxy)phosphoryl]sulfanylmethyl]morpholine is CCCOP(=O)(SCN1CCOCC1)C(CC)C(C)C.
What is the InChIKey of 4-[[2-methylpentan-3-yl(propoxy)phosphoryl]sulfanylmethyl]morpholine?
The InChIKey is NSBYOWMLCTUYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30NO3PS/c1-5-9-18-19(16,14(6-2)13(3)4)20-12-15-7-10-17-11-8-15/h13-14H,5-12H2,1-4H3.
What are the key properties of 4-[[2-methylpentan-3-yl(propoxy)phosphoryl]sulfanylmethyl]morpholine?
4-[[2-methylpentan-3-yl(propoxy)phosphoryl]sulfanylmethyl]morpholine has a molecular weight of 323.44 g/mol, XLogP of 4.06, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methylpentan-3-yl(propoxy)phosphoryl]sulfanylmethyl]morpholine is sourced from PubChem (CID 134232896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).