2-[hydroxy(sulfanyl)phosphinothioyl]oxy-N,N-dimethyl-2-phenylethanamine

C10H16NO2PS2 — CID 18978336

IUPAC2-[hydroxy(sulfanyl)phosphinothioyl]oxy-N,N-dimethyl-2-phenylethanamine
SMILESCN(C)CC(OP(O)(=S)S)c1ccccc1
InChIInChI=1S/C10H16NO2PS2/c1-11(2)8-10(13-14(12,15)16)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H2,12,15,16)
InChIKeyXIISIXAYESEELC-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.45
Rot. Bonds5

About 2-[hydroxy(sulfanyl)phosphinothioyl]oxy-N,N-dimethyl-2-phenylethanamine

2-[hydroxy(sulfanyl)phosphinothioyl]oxy-N,N-dimethyl-2-phenylethanamine (PubChem CID 18978336) has the molecular formula C10H16NO2PS2 and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[hydroxy(sulfanyl)phosphinothioyl]oxy-N,N-dimethyl-2-phenylethanamine.

Molecular Properties

Compound Name2-[hydroxy(sulfanyl)phosphinothioyl]oxy-N,N-dimethyl-2-phenylethanamine
PubChem CID18978336
Molecular FormulaC10H16NO2PS2
Molecular Weight277.35 g/mol
Exact Mass277.04
IUPAC Name2-[hydroxy(sulfanyl)phosphinothioyl]oxy-N,N-dimethyl-2-phenylethanamine
SMILESCN(C)CC(OP(O)(=S)S)c1ccccc1
InChIInChI=1S/C10H16NO2PS2/c1-11(2)8-10(13-14(12,15)16)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H2,12,15,16)
InChIKeyXIISIXAYESEELC-UHFFFAOYSA-N
XLogP2.45
TPSA32.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethylphenyl)-2-[hydroxy(sulfanyl)phosphinothioyl]oxyethanamine
CID 54066490
(1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine
CID 134927015
[2-(dimethylamino)-1-phenylethyl] 2-phenoxypropanoate;hydrochloride
CID 3065816
[2-(dimethylamino)-1-phenylethyl] 2-hydroxy-2,2-diphenylacetate
CID 24834806
hydroxy-[(1S)-1-phenylethyl]-sulfanyl-sulfanylidene-λ5-phosphane
CID 88652076
[(1S)-2-(dimethylamino)-1-phenylethyl] 1H-pyrazole-5-carboxylate
CID 141176426
(2R)-N,N-dimethyl-2-phenylpropan-1-amine
CID 59474206
(2R)-2-(dimethylamino)-2-phenylethanol
CID 10888273
N',N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62618546
(1R,2R)-2-amino-3-(dimethylamino)-1-phenylpropan-1-ol
CID 58420104
4-[2-(dimethylamino)-1-phenylethoxy]-3-methoxybenzoic acid
CID 121407546
N-[2-(dimethylamino)-1-phenylethyl]-N-methylbenzamide
CID 91054783

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(sulfanyl)phosphinothioyl]oxy-N,N-dimethyl-2-phenylethanamine?
The IUPAC name of 2-[hydroxy(sulfanyl)phosphinothioyl]oxy-N,N-dimethyl-2-phenylethanamine (CID 18978336) is 2-[hydroxy(sulfanyl)phosphinothioyl]oxy-N,N-dimethyl-2-phenylethanamine.
What is the SMILES notation for 2-[hydroxy(sulfanyl)phosphinothioyl]oxy-N,N-dimethyl-2-phenylethanamine?
The canonical SMILES for 2-[hydroxy(sulfanyl)phosphinothioyl]oxy-N,N-dimethyl-2-phenylethanamine is CN(C)CC(OP(O)(=S)S)c1ccccc1.
What is the InChIKey of 2-[hydroxy(sulfanyl)phosphinothioyl]oxy-N,N-dimethyl-2-phenylethanamine?
The InChIKey is XIISIXAYESEELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO2PS2/c1-11(2)8-10(13-14(12,15)16)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H2,12,15,16).
What are the key properties of 2-[hydroxy(sulfanyl)phosphinothioyl]oxy-N,N-dimethyl-2-phenylethanamine?
2-[hydroxy(sulfanyl)phosphinothioyl]oxy-N,N-dimethyl-2-phenylethanamine has a molecular weight of 277.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(sulfanyl)phosphinothioyl]oxy-N,N-dimethyl-2-phenylethanamine is sourced from PubChem (CID 18978336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).