N-methyl-2-propan-2-ylsulfanylethanesulfonamide

C6H15NO2S2 — CID 176640108

IUPACN-methyl-2-propan-2-ylsulfanylethanesulfonamide
SMILESCNS(=O)(=O)CCSC(C)C
InChIInChI=1S/C6H15NO2S2/c1-6(2)10-4-5-11(8,9)7-3/h6-7H,4-5H2,1-3H3
InChIKeyDJEQXUUOIYWSJU-UHFFFAOYSA-N
MW197.32 g/mol
LogP0.68
Rot. Bonds5

About N-methyl-2-propan-2-ylsulfanylethanesulfonamide

N-methyl-2-propan-2-ylsulfanylethanesulfonamide (PubChem CID 176640108) has the molecular formula C6H15NO2S2 and a molecular weight of 197.32 g/mol. Its IUPAC name is N-methyl-2-propan-2-ylsulfanylethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-propan-2-ylsulfanylethanesulfonamide
PubChem CID176640108
Molecular FormulaC6H15NO2S2
Molecular Weight197.32 g/mol
Exact Mass197.05
IUPAC NameN-methyl-2-propan-2-ylsulfanylethanesulfonamide
SMILESCNS(=O)(=O)CCSC(C)C
InChIInChI=1S/C6H15NO2S2/c1-6(2)10-4-5-11(8,9)7-3/h6-7H,4-5H2,1-3H3
InChIKeyDJEQXUUOIYWSJU-UHFFFAOYSA-N
XLogP0.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-ylsulfanylethanesulfonamide?
The IUPAC name of N-methyl-2-propan-2-ylsulfanylethanesulfonamide (CID 176640108) is N-methyl-2-propan-2-ylsulfanylethanesulfonamide.
What is the SMILES notation for N-methyl-2-propan-2-ylsulfanylethanesulfonamide?
The canonical SMILES for N-methyl-2-propan-2-ylsulfanylethanesulfonamide is CNS(=O)(=O)CCSC(C)C.
What is the InChIKey of N-methyl-2-propan-2-ylsulfanylethanesulfonamide?
The InChIKey is DJEQXUUOIYWSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S2/c1-6(2)10-4-5-11(8,9)7-3/h6-7H,4-5H2,1-3H3.
What are the key properties of N-methyl-2-propan-2-ylsulfanylethanesulfonamide?
N-methyl-2-propan-2-ylsulfanylethanesulfonamide has a molecular weight of 197.32 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-ylsulfanylethanesulfonamide is sourced from PubChem (CID 176640108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).