N-methylsulfonyl-N-propylmethanesulfonamide

C5H13NO4S2 — CID 13122209

IUPACN-methylsulfonyl-N-propylmethanesulfonamide
SMILESCCCN(S(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C5H13NO4S2/c1-4-5-6(11(2,7)8)12(3,9)10/h4-5H2,1-3H3
InChIKeyBFOMFEIWQPNZEL-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.38
Rot. Bonds4

About N-methylsulfonyl-N-propylmethanesulfonamide

N-methylsulfonyl-N-propylmethanesulfonamide (PubChem CID 13122209) has the molecular formula C5H13NO4S2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-methylsulfonyl-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-methylsulfonyl-N-propylmethanesulfonamide
PubChem CID13122209
Molecular FormulaC5H13NO4S2
Molecular Weight215.30 g/mol
Exact Mass215.03
IUPAC NameN-methylsulfonyl-N-propylmethanesulfonamide
SMILESCCCN(S(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C5H13NO4S2/c1-4-5-6(11(2,7)8)12(3,9)10/h4-5H2,1-3H3
InChIKeyBFOMFEIWQPNZEL-UHFFFAOYSA-N
XLogP-0.38
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-N-propylmethanesulfonamide?
The IUPAC name of N-methylsulfonyl-N-propylmethanesulfonamide (CID 13122209) is N-methylsulfonyl-N-propylmethanesulfonamide.
What is the SMILES notation for N-methylsulfonyl-N-propylmethanesulfonamide?
The canonical SMILES for N-methylsulfonyl-N-propylmethanesulfonamide is CCCN(S(C)(=O)=O)S(C)(=O)=O.
What is the InChIKey of N-methylsulfonyl-N-propylmethanesulfonamide?
The InChIKey is BFOMFEIWQPNZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO4S2/c1-4-5-6(11(2,7)8)12(3,9)10/h4-5H2,1-3H3.
What are the key properties of N-methylsulfonyl-N-propylmethanesulfonamide?
N-methylsulfonyl-N-propylmethanesulfonamide has a molecular weight of 215.30 g/mol, XLogP of -0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-N-propylmethanesulfonamide is sourced from PubChem (CID 13122209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).