N-butyl-N-methylsulfonylmethanesulfonamide

C6H15NO4S2 — CID 13122204

IUPACN-butyl-N-methylsulfonylmethanesulfonamide
SMILESCCCCN(S(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C6H15NO4S2/c1-4-5-6-7(12(2,8)9)13(3,10)11/h4-6H2,1-3H3
InChIKeyUNSNLAPNWDKWSO-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.01
Rot. Bonds5

About N-butyl-N-methylsulfonylmethanesulfonamide

N-butyl-N-methylsulfonylmethanesulfonamide (PubChem CID 13122204) has the molecular formula C6H15NO4S2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-butyl-N-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-butyl-N-methylsulfonylmethanesulfonamide
PubChem CID13122204
Molecular FormulaC6H15NO4S2
Molecular Weight229.32 g/mol
Exact Mass229.04
IUPAC NameN-butyl-N-methylsulfonylmethanesulfonamide
SMILESCCCCN(S(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C6H15NO4S2/c1-4-5-6-7(12(2,8)9)13(3,10)11/h4-6H2,1-3H3
InChIKeyUNSNLAPNWDKWSO-UHFFFAOYSA-N
XLogP0.01
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methylsulfonylmethanesulfonamide?
The IUPAC name of N-butyl-N-methylsulfonylmethanesulfonamide (CID 13122204) is N-butyl-N-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-butyl-N-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-butyl-N-methylsulfonylmethanesulfonamide is CCCCN(S(C)(=O)=O)S(C)(=O)=O.
What is the InChIKey of N-butyl-N-methylsulfonylmethanesulfonamide?
The InChIKey is UNSNLAPNWDKWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO4S2/c1-4-5-6-7(12(2,8)9)13(3,10)11/h4-6H2,1-3H3.
What are the key properties of N-butyl-N-methylsulfonylmethanesulfonamide?
N-butyl-N-methylsulfonylmethanesulfonamide has a molecular weight of 229.32 g/mol, XLogP of 0.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 13122204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).