(S-methyl-N-sulfinosulfonimidoyl)-methylsulfonylmethane;rutherfordium

C3H9NO5RfS3 — CID 59979005

IUPAC(S-methyl-N-sulfinosulfonimidoyl)-methylsulfonylmethane;rutherfordium
SMILESCS(=O)(=O)CS(C)(=O)=NS(=O)O.[Rf]
InChIInChI=1S/C3H9NO5S3.Rf/c1-11(7,4-10(5)6)3-12(2,8)9;/h3H2,1-2H3,(H,5,6);
InChIKeyBUHUDEQUJGOYIZ-UHFFFAOYSA-N
MW502.31 g/mol
LogP-0.78
Rot. Bonds3

About (S-methyl-N-sulfinosulfonimidoyl)-methylsulfonylmethane;rutherfordium

(S-methyl-N-sulfinosulfonimidoyl)-methylsulfonylmethane;rutherfordium (PubChem CID 59979005) has the molecular formula C3H9NO5RfS3 and a molecular weight of 502.31 g/mol. Its IUPAC name is (S-methyl-N-sulfinosulfonimidoyl)-methylsulfonylmethane;rutherfordium.

Molecular Properties

Compound Name(S-methyl-N-sulfinosulfonimidoyl)-methylsulfonylmethane;rutherfordium
PubChem CID59979005
Molecular FormulaC3H9NO5RfS3
Molecular Weight502.31 g/mol
Exact Mass502.09
IUPAC Name(S-methyl-N-sulfinosulfonimidoyl)-methylsulfonylmethane;rutherfordium
SMILESCS(=O)(=O)CS(C)(=O)=NS(=O)O.[Rf]
InChIInChI=1S/C3H9NO5S3.Rf/c1-11(7,4-10(5)6)3-12(2,8)9;/h3H2,1-2H3,(H,5,6);
InChIKeyBUHUDEQUJGOYIZ-UHFFFAOYSA-N
XLogP-0.78
TPSA100.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.31
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methylsulfonylmethanesulfinic acid
CID 22045949
Methanesulfonic acid, 1-(methylsulfonyl)
CID 13440992
CID 18924051
CID 18924051
Methanesulfonic acid;methylsulfinylmethane
CID 21507185
Dmso H2SO4
CID 22400901
N-methylsulfonylmethanesulfonimidic acid
CID 58300652
(S-methyl-N-sulfinosulfonimidoyl)methanesulfinate;bis(rutherfordium)
CID 59979003
bis(S-methyl-N-sulfinosulfonimidoyl)methane;bis(rutherfordium)
CID 59979007
Bis(methylsulfonyl)methanesulfonic acid
CID 87169209
Methylsulfonylmethylsulfonylmethanesulfonamide
CID 87233062
Methanesulfonamide;methanesulfonic acid
CID 87720098
(Amino-dimethyl-oxo-lambda6-sulfanyl) hydrogen sulfate
CID 89407644

Frequently Asked Questions

What is the IUPAC name of (S-methyl-N-sulfinosulfonimidoyl)-methylsulfonylmethane;rutherfordium?
The IUPAC name of (S-methyl-N-sulfinosulfonimidoyl)-methylsulfonylmethane;rutherfordium (CID 59979005) is (S-methyl-N-sulfinosulfonimidoyl)-methylsulfonylmethane;rutherfordium.
What is the SMILES notation for (S-methyl-N-sulfinosulfonimidoyl)-methylsulfonylmethane;rutherfordium?
The canonical SMILES for (S-methyl-N-sulfinosulfonimidoyl)-methylsulfonylmethane;rutherfordium is CS(=O)(=O)CS(C)(=O)=NS(=O)O.[Rf].
What is the InChIKey of (S-methyl-N-sulfinosulfonimidoyl)-methylsulfonylmethane;rutherfordium?
The InChIKey is BUHUDEQUJGOYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO5S3.Rf/c1-11(7,4-10(5)6)3-12(2,8)9;/h3H2,1-2H3,(H,5,6);.
What are the key properties of (S-methyl-N-sulfinosulfonimidoyl)-methylsulfonylmethane;rutherfordium?
(S-methyl-N-sulfinosulfonimidoyl)-methylsulfonylmethane;rutherfordium has a molecular weight of 502.31 g/mol, XLogP of -0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S-methyl-N-sulfinosulfonimidoyl)-methylsulfonylmethane;rutherfordium is sourced from PubChem (CID 59979005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).