dimethyl(1-methylsulfonylethyl)phosphane;methane

C6H16O2PS- — CID 158322088

IUPACdimethyl(1-methylsulfonylethyl)phosphane;methane
SMILESC.C[C-](P(C)C)S(C)(=O)=O
InChIInChI=1S/C5H12O2PS.CH4/c1-5(8(2)3)9(4,6)7;/h1-4H3;1H4/q-1;
InChIKeyGOZACXKCHXLOKN-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.92
Rot. Bonds2

About dimethyl(1-methylsulfonylethyl)phosphane;methane

dimethyl(1-methylsulfonylethyl)phosphane;methane (PubChem CID 158322088) has the molecular formula C6H16O2PS- and a molecular weight of 183.23 g/mol. Its IUPAC name is dimethyl(1-methylsulfonylethyl)phosphane;methane.

Molecular Properties

Compound Namedimethyl(1-methylsulfonylethyl)phosphane;methane
PubChem CID158322088
Molecular FormulaC6H16O2PS-
Molecular Weight183.23 g/mol
Exact Mass183.06
IUPAC Namedimethyl(1-methylsulfonylethyl)phosphane;methane
SMILESC.C[C-](P(C)C)S(C)(=O)=O
InChIInChI=1S/C5H12O2PS.CH4/c1-5(8(2)3)9(4,6)7;/h1-4H3;1H4/q-1;
InChIKeyGOZACXKCHXLOKN-UHFFFAOYSA-N
XLogP1.92
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methane;N-methyl-N-methylsulfonylmethanesulfonamide
CID 157258275
methane;methanesulfonic acid
CID 87535456
dimethyl(methylsulfonylmethyl)phosphane
CID 155634072
CID 58734850
CID 58734850
methane;methylsulfonylmethane;propan-2-one
CID 169426360
methylsulfonyloxyboronic acid
CID 141334223
methylsulfonylazanium
CID 59060153
copper(1+);methylsulfonylmethane;bromide
CID 175181305
1-methoxy-2-[2-methoxyethylsulfonyl(methylsulfonyl)methyl]sulfonylethane
CID 153470172
CID 160921753
CID 160921753
N-chloro-N-methylmethanesulfonamide
CID 22136679
N-chloro-N-methylsulfonylmethanesulfonamide
CID 13122216

Frequently Asked Questions

What is the IUPAC name of dimethyl(1-methylsulfonylethyl)phosphane;methane?
The IUPAC name of dimethyl(1-methylsulfonylethyl)phosphane;methane (CID 158322088) is dimethyl(1-methylsulfonylethyl)phosphane;methane.
What is the SMILES notation for dimethyl(1-methylsulfonylethyl)phosphane;methane?
The canonical SMILES for dimethyl(1-methylsulfonylethyl)phosphane;methane is C.C[C-](P(C)C)S(C)(=O)=O.
What is the InChIKey of dimethyl(1-methylsulfonylethyl)phosphane;methane?
The InChIKey is GOZACXKCHXLOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2PS.CH4/c1-5(8(2)3)9(4,6)7;/h1-4H3;1H4/q-1;.
What are the key properties of dimethyl(1-methylsulfonylethyl)phosphane;methane?
dimethyl(1-methylsulfonylethyl)phosphane;methane has a molecular weight of 183.23 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(1-methylsulfonylethyl)phosphane;methane is sourced from PubChem (CID 158322088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).