2-amino-1-(2-dimethoxyphosphorylsulfanylethoxy)-2-methylpropan-1-ol

C8H20NO5PS — CID 170089207

IUPAC2-amino-1-(2-dimethoxyphosphorylsulfanylethoxy)-2-methylpropan-1-ol
SMILESCOP(=O)(OC)SCCOC(O)C(C)(C)N
InChIInChI=1S/C8H20NO5PS/c1-8(2,9)7(10)14-5-6-16-15(11,12-3)13-4/h7,10H,5-6,9H2,1-4H3
InChIKeyDWHOTPRDSPZTRQ-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.19
Rot. Bonds8

About 2-amino-1-(2-dimethoxyphosphorylsulfanylethoxy)-2-methylpropan-1-ol

2-amino-1-(2-dimethoxyphosphorylsulfanylethoxy)-2-methylpropan-1-ol (PubChem CID 170089207) has the molecular formula C8H20NO5PS and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-amino-1-(2-dimethoxyphosphorylsulfanylethoxy)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-amino-1-(2-dimethoxyphosphorylsulfanylethoxy)-2-methylpropan-1-ol
PubChem CID170089207
Molecular FormulaC8H20NO5PS
Molecular Weight273.29 g/mol
Exact Mass273.08
IUPAC Name2-amino-1-(2-dimethoxyphosphorylsulfanylethoxy)-2-methylpropan-1-ol
SMILESCOP(=O)(OC)SCCOC(O)C(C)(C)N
InChIInChI=1S/C8H20NO5PS/c1-8(2,9)7(10)14-5-6-16-15(11,12-3)13-4/h7,10H,5-6,9H2,1-4H3
InChIKeyDWHOTPRDSPZTRQ-UHFFFAOYSA-N
XLogP1.19
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-dimethoxyphosphorylsulfanylethyl 2,2-dimethylpropanoate
CID 118263162
2-chloro-1-dimethoxyphosphorylsulfanyl-2-methylpropane
CID 134933836
3-dimethoxyphosphorylsulfanylpropanenitrile
CID 23553412
2-[3-methylbutan-2-yloxy(propan-2-yloxy)phosphoryl]sulfanylethyl 2-amino-2-methylpropanoate
CID 134232882
1-[4-[2-hydroxyethoxy-(3-hydroxy-1-methoxybutan-2-yl)oxyphosphoryl]sulfanylbutoxy]-2,2-dimethylpropan-1-ol
CID 146185573
2-(2,2-dimethylpropanoyloxy)ethylsulfanylphosphonic acid
CID 159079365
2-[methoxy(propan-2-yloxy)phosphoryl]sulfanyl-N,N-dimethylethanamine
CID 134217980
1-dimethoxyphosphoryl-2-methylpropan-2-amine
CID 58928872
2-[ethoxy(methoxy)phosphoryl]sulfanylethyl-trimethylazanium
CID 121231394
S-(2-methoxyethyl) 3-amino-2,2-dimethyl-3-oxopropanethioate
CID 144967678
2-methoxyethyl 2-ethyl-3,3-dimethylpentanoate
CID 142740056
2-(2-tert-butyl-1-hydroxy-2,3,3-trimethylbutoxy)ethyl-trimethylazanium
CID 123439848

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-dimethoxyphosphorylsulfanylethoxy)-2-methylpropan-1-ol?
The IUPAC name of 2-amino-1-(2-dimethoxyphosphorylsulfanylethoxy)-2-methylpropan-1-ol (CID 170089207) is 2-amino-1-(2-dimethoxyphosphorylsulfanylethoxy)-2-methylpropan-1-ol.
What is the SMILES notation for 2-amino-1-(2-dimethoxyphosphorylsulfanylethoxy)-2-methylpropan-1-ol?
The canonical SMILES for 2-amino-1-(2-dimethoxyphosphorylsulfanylethoxy)-2-methylpropan-1-ol is COP(=O)(OC)SCCOC(O)C(C)(C)N.
What is the InChIKey of 2-amino-1-(2-dimethoxyphosphorylsulfanylethoxy)-2-methylpropan-1-ol?
The InChIKey is DWHOTPRDSPZTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO5PS/c1-8(2,9)7(10)14-5-6-16-15(11,12-3)13-4/h7,10H,5-6,9H2,1-4H3.
What are the key properties of 2-amino-1-(2-dimethoxyphosphorylsulfanylethoxy)-2-methylpropan-1-ol?
2-amino-1-(2-dimethoxyphosphorylsulfanylethoxy)-2-methylpropan-1-ol has a molecular weight of 273.29 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-dimethoxyphosphorylsulfanylethoxy)-2-methylpropan-1-ol is sourced from PubChem (CID 170089207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).