methylsulfonylsulfanylmethanamine

C2H7NO2S2 — CID 4133024

IUPACmethylsulfonylsulfanylmethanamine
SMILESCS(=O)(=O)SCN
InChIInChI=1S/C2H7NO2S2/c1-7(4,5)6-2-3/h2-3H2,1H3
InChIKeyCBUDSTDIHZFQIS-UHFFFAOYSA-N
MW141.22 g/mol
LogP-0.40
Rot. Bonds2

About methylsulfonylsulfanylmethanamine

methylsulfonylsulfanylmethanamine (PubChem CID 4133024) has the molecular formula C2H7NO2S2 and a molecular weight of 141.22 g/mol. Its IUPAC name is methylsulfonylsulfanylmethanamine.

Molecular Properties

Compound Namemethylsulfonylsulfanylmethanamine
PubChem CID4133024
Molecular FormulaC2H7NO2S2
Molecular Weight141.22 g/mol
Exact Mass140.99
IUPAC Namemethylsulfonylsulfanylmethanamine
SMILESCS(=O)(=O)SCN
InChIInChI=1S/C2H7NO2S2/c1-7(4,5)6-2-3/h2-3H2,1H3
InChIKeyCBUDSTDIHZFQIS-UHFFFAOYSA-N
XLogP-0.40
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methylsulfonylsulfanylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-bis(methylsulfonylsulfanyl)ethane
CID 564320
trimethyl(methylsulfonylsulfanylmethyl)azanium bromide
CID 46783192
1,1,2,2-tetradeuterio-2-methylsulfonylsulfanylethanol
CID 45039447
(E)-1-methylsulfonylsulfanylbut-2-ene
CID 21450354
1-(2-methylsulfonylsulfanylethoxy)-2-[2-(2-methylsulfonylsulfanylethoxy)ethoxy]ethane
CID 5047788
1-methylsulfonylsulfanyldodecane
CID 3666466
1-methylsulfonylsulfanyldecane
CID 5225635
CID 171042466
CID 171042466
ethane-1,2-diamine;methanesulfonic acid
CID 161046577
3-methyl-3-(2-methylsulfonylsulfanylethyl)diazirine
CID 154701091
triethyl(2-methylsulfonylsulfanylethyl)azanium bromide
CID 71752722
3-methylsulfonylsulfanylpropanoyl chloride
CID 169436267

Frequently Asked Questions

What is the IUPAC name of methylsulfonylsulfanylmethanamine?
The IUPAC name of methylsulfonylsulfanylmethanamine (CID 4133024) is methylsulfonylsulfanylmethanamine.
What is the SMILES notation for methylsulfonylsulfanylmethanamine?
The canonical SMILES for methylsulfonylsulfanylmethanamine is CS(=O)(=O)SCN.
What is the InChIKey of methylsulfonylsulfanylmethanamine?
The InChIKey is CBUDSTDIHZFQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO2S2/c1-7(4,5)6-2-3/h2-3H2,1H3.
What are the key properties of methylsulfonylsulfanylmethanamine?
methylsulfonylsulfanylmethanamine has a molecular weight of 141.22 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonylsulfanylmethanamine is sourced from PubChem (CID 4133024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).