N-(2-methylsulfanylethyl)methanesulfonamide

C4H11NO2S2 — CID 59559064

IUPACN-(2-methylsulfanylethyl)methanesulfonamide
SMILESCSCCNS(C)(=O)=O
InChIInChI=1S/C4H11NO2S2/c1-8-4-3-5-9(2,6)7/h5H,3-4H2,1-2H3
InChIKeyYLNMXTHHTRKMNU-UHFFFAOYSA-N
MW169.27 g/mol
LogP-0.10
Rot. Bonds4

About N-(2-methylsulfanylethyl)methanesulfonamide

N-(2-methylsulfanylethyl)methanesulfonamide (PubChem CID 59559064) has the molecular formula C4H11NO2S2 and a molecular weight of 169.27 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)methanesulfonamide
PubChem CID59559064
Molecular FormulaC4H11NO2S2
Molecular Weight169.27 g/mol
Exact Mass169.02
IUPAC NameN-(2-methylsulfanylethyl)methanesulfonamide
SMILESCSCCNS(C)(=O)=O
InChIInChI=1S/C4H11NO2S2/c1-8-4-3-5-9(2,6)7/h5H,3-4H2,1-2H3
InChIKeyYLNMXTHHTRKMNU-UHFFFAOYSA-N
XLogP-0.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)methanesulfonamide?
The IUPAC name of N-(2-methylsulfanylethyl)methanesulfonamide (CID 59559064) is N-(2-methylsulfanylethyl)methanesulfonamide.
What is the SMILES notation for N-(2-methylsulfanylethyl)methanesulfonamide?
The canonical SMILES for N-(2-methylsulfanylethyl)methanesulfonamide is CSCCNS(C)(=O)=O.
What is the InChIKey of N-(2-methylsulfanylethyl)methanesulfonamide?
The InChIKey is YLNMXTHHTRKMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2S2/c1-8-4-3-5-9(2,6)7/h5H,3-4H2,1-2H3.
What are the key properties of N-(2-methylsulfanylethyl)methanesulfonamide?
N-(2-methylsulfanylethyl)methanesulfonamide has a molecular weight of 169.27 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)methanesulfonamide is sourced from PubChem (CID 59559064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).