N-methylsulfonyl-N-propan-2-ylmethanesulfonamide

C5H13NO4S2 — CID 13122210

IUPACN-methylsulfonyl-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(S(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C5H13NO4S2/c1-5(2)6(11(3,7)8)12(4,9)10/h5H,1-4H3
InChIKeyAQWLRXPEMFSTDO-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.38
Rot. Bonds3

About N-methylsulfonyl-N-propan-2-ylmethanesulfonamide

N-methylsulfonyl-N-propan-2-ylmethanesulfonamide (PubChem CID 13122210) has the molecular formula C5H13NO4S2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-methylsulfonyl-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-methylsulfonyl-N-propan-2-ylmethanesulfonamide
PubChem CID13122210
Molecular FormulaC5H13NO4S2
Molecular Weight215.30 g/mol
Exact Mass215.03
IUPAC NameN-methylsulfonyl-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(S(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C5H13NO4S2/c1-5(2)6(11(3,7)8)12(4,9)10/h5H,1-4H3
InChIKeyAQWLRXPEMFSTDO-UHFFFAOYSA-N
XLogP-0.38
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

n-Ethyl-n-(methylsulfonyl)methanesulfonamide
CID 263623
N-chloro-N-propan-2-ylmethanesulfonamide
CID 312701
N-Butyl-N-(methanesulfonyl)methanesulfonamide
CID 13122204
N-(Methanesulfonyl)-N-propylmethanesulfonamide
CID 13122209
N-cyclobutyl-N-methylsulfonylmethanesulfonamide
CID 85795290
n-(Butan-2-yl)-n-(methylsulfonyl)methanesulfonamide
CID 263625
[Methylsulfonyl(propan-2-yl)amino] thiohypochlorite
CID 17943098
[Methylsulfonyl(propyl)amino] thiohypochlorite
CID 18914752
[Methylsulfonyl(propyl)amino] thiohypobromite
CID 18914760
N-ethylsulfonyl-N-propan-2-ylethanesulfonamide
CID 20824093
N-methyl-N-propan-2-ylmethanesulfonamide
CID 23532186
[Methylsulfonyl(propan-2-yl)amino] thiohypobromite
CID 53672788

Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-methylsulfonyl-N-propan-2-ylmethanesulfonamide (CID 13122210) is N-methylsulfonyl-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-methylsulfonyl-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-methylsulfonyl-N-propan-2-ylmethanesulfonamide is CC(C)N(S(C)(=O)=O)S(C)(=O)=O.
What is the InChIKey of N-methylsulfonyl-N-propan-2-ylmethanesulfonamide?
The InChIKey is AQWLRXPEMFSTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO4S2/c1-5(2)6(11(3,7)8)12(4,9)10/h5H,1-4H3.
What are the key properties of N-methylsulfonyl-N-propan-2-ylmethanesulfonamide?
N-methylsulfonyl-N-propan-2-ylmethanesulfonamide has a molecular weight of 215.30 g/mol, XLogP of -0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 13122210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).