N-methyl-N-methylsulfanylmethanesulfonamide

C3H9NO2S2 — CID 91592864

IUPACN-methyl-N-methylsulfanylmethanesulfonamide
SMILESCSN(C)S(C)(=O)=O
InChIInChI=1S/C3H9NO2S2/c1-4(7-2)8(3,5)6/h1-3H3
InChIKeyKIKJUZDFGVUREJ-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.16
Rot. Bonds2

About N-methyl-N-methylsulfanylmethanesulfonamide

N-methyl-N-methylsulfanylmethanesulfonamide (PubChem CID 91592864) has the molecular formula C3H9NO2S2 and a molecular weight of 155.24 g/mol. Its IUPAC name is N-methyl-N-methylsulfanylmethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-methylsulfanylmethanesulfonamide
PubChem CID91592864
Molecular FormulaC3H9NO2S2
Molecular Weight155.24 g/mol
Exact Mass155.01
IUPAC NameN-methyl-N-methylsulfanylmethanesulfonamide
SMILESCSN(C)S(C)(=O)=O
InChIInChI=1S/C3H9NO2S2/c1-4(7-2)8(3,5)6/h1-3H3
InChIKeyKIKJUZDFGVUREJ-UHFFFAOYSA-N
XLogP0.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-methylsulfanylmethanesulfonamide?
The IUPAC name of N-methyl-N-methylsulfanylmethanesulfonamide (CID 91592864) is N-methyl-N-methylsulfanylmethanesulfonamide.
What is the SMILES notation for N-methyl-N-methylsulfanylmethanesulfonamide?
The canonical SMILES for N-methyl-N-methylsulfanylmethanesulfonamide is CSN(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-methylsulfanylmethanesulfonamide?
The InChIKey is KIKJUZDFGVUREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2S2/c1-4(7-2)8(3,5)6/h1-3H3.
What are the key properties of N-methyl-N-methylsulfanylmethanesulfonamide?
N-methyl-N-methylsulfanylmethanesulfonamide has a molecular weight of 155.24 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-methylsulfanylmethanesulfonamide is sourced from PubChem (CID 91592864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).