12-[hydroxy(methoxy)phosphinothioyl]oxy-N-methyldodecan-1-amine

C14H32NO3PS — CID 177366148

IUPAC12-[hydroxy(methoxy)phosphinothioyl]oxy-N-methyldodecan-1-amine
SMILESCNCCCCCCCCCCCCOP(O)(=S)OC
InChIInChI=1S/C14H32NO3PS/c1-15-13-11-9-7-5-3-4-6-8-10-12-14-18-19(16,20)17-2/h15H,3-14H2,1-2H3,(H,16,20)
InChIKeyWTYOFDISUHTJJF-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.99
Rot. Bonds15

About 12-[hydroxy(methoxy)phosphinothioyl]oxy-N-methyldodecan-1-amine

12-[hydroxy(methoxy)phosphinothioyl]oxy-N-methyldodecan-1-amine (PubChem CID 177366148) has the molecular formula C14H32NO3PS and a molecular weight of 325.46 g/mol. Its IUPAC name is 12-[hydroxy(methoxy)phosphinothioyl]oxy-N-methyldodecan-1-amine.

Molecular Properties

Compound Name12-[hydroxy(methoxy)phosphinothioyl]oxy-N-methyldodecan-1-amine
PubChem CID177366148
Molecular FormulaC14H32NO3PS
Molecular Weight325.46 g/mol
Exact Mass325.18
IUPAC Name12-[hydroxy(methoxy)phosphinothioyl]oxy-N-methyldodecan-1-amine
SMILESCNCCCCCCCCCCCCOP(O)(=S)OC
InChIInChI=1S/C14H32NO3PS/c1-15-13-11-9-7-5-3-4-6-8-10-12-14-18-19(16,20)17-2/h15H,3-14H2,1-2H3,(H,16,20)
InChIKeyWTYOFDISUHTJJF-UHFFFAOYSA-N
XLogP3.99
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[hydroxy(methoxy)phosphinothioyl]oxy-N-methylhexan-1-amine
CID 177366153
12-[hydroxy(methoxy)phosphinothioyl]oxydodecan-1-ol
CID 123445050
hydroxy-methoxy-(3-methoxypropoxy)-sulfanylidene-λ5-phosphane
CID 58974551
butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 89235788
6-[hydroxy(propan-2-yloxy)phosphinothioyl]oxy-N-propan-2-ylhexan-1-amine
CID 176838194
N,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen
CID 176578398
hexa-1,3,5-triyne;1-[hydroxy(methoxy)phosphinothioyl]oxytricosan-8-one;methane;methanol
CID 159802693
6-(methylamino)hexoxyphosphinous acid
CID 118527246
12-methoxy-N-methyltridec-12-en-1-amine
CID 145295234
butoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 23335262
N,N'-dimethylhexane-1,6-diamine;hydrochloride
CID 154634683
hydroxy-dimethoxy-sulfanylidene-λ5-phosphane
CID 158776888

Frequently Asked Questions

What is the IUPAC name of 12-[hydroxy(methoxy)phosphinothioyl]oxy-N-methyldodecan-1-amine?
The IUPAC name of 12-[hydroxy(methoxy)phosphinothioyl]oxy-N-methyldodecan-1-amine (CID 177366148) is 12-[hydroxy(methoxy)phosphinothioyl]oxy-N-methyldodecan-1-amine.
What is the SMILES notation for 12-[hydroxy(methoxy)phosphinothioyl]oxy-N-methyldodecan-1-amine?
The canonical SMILES for 12-[hydroxy(methoxy)phosphinothioyl]oxy-N-methyldodecan-1-amine is CNCCCCCCCCCCCCOP(O)(=S)OC.
What is the InChIKey of 12-[hydroxy(methoxy)phosphinothioyl]oxy-N-methyldodecan-1-amine?
The InChIKey is WTYOFDISUHTJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32NO3PS/c1-15-13-11-9-7-5-3-4-6-8-10-12-14-18-19(16,20)17-2/h15H,3-14H2,1-2H3,(H,16,20).
What are the key properties of 12-[hydroxy(methoxy)phosphinothioyl]oxy-N-methyldodecan-1-amine?
12-[hydroxy(methoxy)phosphinothioyl]oxy-N-methyldodecan-1-amine has a molecular weight of 325.46 g/mol, XLogP of 3.99, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[hydroxy(methoxy)phosphinothioyl]oxy-N-methyldodecan-1-amine is sourced from PubChem (CID 177366148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).