6-[hydroxy(methoxy)phosphinothioyl]oxy-N-methylhexan-1-amine

C8H20NO3PS — CID 177366153

IUPAC6-[hydroxy(methoxy)phosphinothioyl]oxy-N-methylhexan-1-amine
SMILESCNCCCCCCOP(O)(=S)OC
InChIInChI=1S/C8H20NO3PS/c1-9-7-5-3-4-6-8-12-13(10,14)11-2/h9H,3-8H2,1-2H3,(H,10,14)
InChIKeyHIYUPZLXRAKBDJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.65
Rot. Bonds9

About 6-[hydroxy(methoxy)phosphinothioyl]oxy-N-methylhexan-1-amine

6-[hydroxy(methoxy)phosphinothioyl]oxy-N-methylhexan-1-amine (PubChem CID 177366153) has the molecular formula C8H20NO3PS and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-[hydroxy(methoxy)phosphinothioyl]oxy-N-methylhexan-1-amine.

Molecular Properties

Compound Name6-[hydroxy(methoxy)phosphinothioyl]oxy-N-methylhexan-1-amine
PubChem CID177366153
Molecular FormulaC8H20NO3PS
Molecular Weight241.29 g/mol
Exact Mass241.09
IUPAC Name6-[hydroxy(methoxy)phosphinothioyl]oxy-N-methylhexan-1-amine
SMILESCNCCCCCCOP(O)(=S)OC
InChIInChI=1S/C8H20NO3PS/c1-9-7-5-3-4-6-8-12-13(10,14)11-2/h9H,3-8H2,1-2H3,(H,10,14)
InChIKeyHIYUPZLXRAKBDJ-UHFFFAOYSA-N
XLogP1.65
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.65
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

12-[hydroxy(methoxy)phosphinothioyl]oxy-N-methyldodecan-1-amine
CID 177366148
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 6-[hydroxy(methoxy)phosphinothioyl]oxy-N-methylhexan-1-amine?
The IUPAC name of 6-[hydroxy(methoxy)phosphinothioyl]oxy-N-methylhexan-1-amine (CID 177366153) is 6-[hydroxy(methoxy)phosphinothioyl]oxy-N-methylhexan-1-amine.
What is the SMILES notation for 6-[hydroxy(methoxy)phosphinothioyl]oxy-N-methylhexan-1-amine?
The canonical SMILES for 6-[hydroxy(methoxy)phosphinothioyl]oxy-N-methylhexan-1-amine is CNCCCCCCOP(O)(=S)OC.
What is the InChIKey of 6-[hydroxy(methoxy)phosphinothioyl]oxy-N-methylhexan-1-amine?
The InChIKey is HIYUPZLXRAKBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO3PS/c1-9-7-5-3-4-6-8-12-13(10,14)11-2/h9H,3-8H2,1-2H3,(H,10,14).
What are the key properties of 6-[hydroxy(methoxy)phosphinothioyl]oxy-N-methylhexan-1-amine?
6-[hydroxy(methoxy)phosphinothioyl]oxy-N-methylhexan-1-amine has a molecular weight of 241.29 g/mol, XLogP of 1.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[hydroxy(methoxy)phosphinothioyl]oxy-N-methylhexan-1-amine is sourced from PubChem (CID 177366153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).