2-[1-[methoxy(methyl)phosphoryl]ethylsulfonyl]propane

C7H17O4PS — CID 158746631

IUPAC2-[1-[methoxy(methyl)phosphoryl]ethylsulfonyl]propane
SMILESCOP(C)(=O)C(C)S(=O)(=O)C(C)C
InChIInChI=1S/C7H17O4PS/c1-6(2)13(9,10)7(3)12(5,8)11-4/h6-7H,1-5H3
InChIKeyNLVUNPXKXRSXHU-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.71
Rot. Bonds4

About 2-[1-[methoxy(methyl)phosphoryl]ethylsulfonyl]propane

2-[1-[methoxy(methyl)phosphoryl]ethylsulfonyl]propane (PubChem CID 158746631) has the molecular formula C7H17O4PS and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[1-[methoxy(methyl)phosphoryl]ethylsulfonyl]propane.

Molecular Properties

Compound Name2-[1-[methoxy(methyl)phosphoryl]ethylsulfonyl]propane
PubChem CID158746631
Molecular FormulaC7H17O4PS
Molecular Weight228.25 g/mol
Exact Mass228.06
IUPAC Name2-[1-[methoxy(methyl)phosphoryl]ethylsulfonyl]propane
SMILESCOP(C)(=O)C(C)S(=O)(=O)C(C)C
InChIInChI=1S/C7H17O4PS/c1-6(2)13(9,10)7(3)12(5,8)11-4/h6-7H,1-5H3
InChIKeyNLVUNPXKXRSXHU-UHFFFAOYSA-N
XLogP1.71
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methylphosphonic acid;2-propan-2-ylsulfonylpropane
CID 87563498
dimethoxy-[methoxy(methyl)phosphoryl]methane
CID 12601977
2-[methoxy(methyl)phosphoryl]hexane
CID 87946542
2-[methoxy(propan-2-yl)phosphoryl]propane
CID 15162241
N-dimethoxyphosphoryl-N-methylpropan-2-amine
CID 14339947
methyl propan-2-ylsulfonylformate
CID 117037052
3-methoxy-3-(1-methoxyprop-2-enylsulfonyl)prop-1-ene
CID 90811533
[chloro(methyl)phosphoryl]oxymethane
CID 11499216
methane;[methoxy(methyl)phosphoryl]oxymethane
CID 161343110
CID 57459832
CID 57459832
N-[chloro(methoxy)phosphoryl]-N-propan-2-ylpropan-2-amine
CID 15098181
dimethyl sulfate;trimethyl phosphate
CID 159905170

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methoxy(methyl)phosphoryl]ethylsulfonyl]propane?
The IUPAC name of 2-[1-[methoxy(methyl)phosphoryl]ethylsulfonyl]propane (CID 158746631) is 2-[1-[methoxy(methyl)phosphoryl]ethylsulfonyl]propane.
What is the SMILES notation for 2-[1-[methoxy(methyl)phosphoryl]ethylsulfonyl]propane?
The canonical SMILES for 2-[1-[methoxy(methyl)phosphoryl]ethylsulfonyl]propane is COP(C)(=O)C(C)S(=O)(=O)C(C)C.
What is the InChIKey of 2-[1-[methoxy(methyl)phosphoryl]ethylsulfonyl]propane?
The InChIKey is NLVUNPXKXRSXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O4PS/c1-6(2)13(9,10)7(3)12(5,8)11-4/h6-7H,1-5H3.
What are the key properties of 2-[1-[methoxy(methyl)phosphoryl]ethylsulfonyl]propane?
2-[1-[methoxy(methyl)phosphoryl]ethylsulfonyl]propane has a molecular weight of 228.25 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methoxy(methyl)phosphoryl]ethylsulfonyl]propane is sourced from PubChem (CID 158746631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).