N-methylsulfonylmethanesulfonamide;propan-1-amine

C5H16N2O4S2 — CID 118578089

IUPACN-methylsulfonylmethanesulfonamide;propan-1-amine
SMILESCCCN.CS(=O)(=O)NS(C)(=O)=O
InChIInChI=1S/C3H9N.C2H7NO4S2/c1-2-3-4;1-8(4,5)3-9(2,6)7/h2-4H2,1H3;3H,1-2H3
InChIKeyADKODAAPYHQLFU-UHFFFAOYSA-N
MW232.33 g/mol
LogP-1.15
Rot. Bonds3

About N-methylsulfonylmethanesulfonamide;propan-1-amine

N-methylsulfonylmethanesulfonamide;propan-1-amine (PubChem CID 118578089) has the molecular formula C5H16N2O4S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-methylsulfonylmethanesulfonamide;propan-1-amine.

Molecular Properties

Compound NameN-methylsulfonylmethanesulfonamide;propan-1-amine
PubChem CID118578089
Molecular FormulaC5H16N2O4S2
Molecular Weight232.33 g/mol
Exact Mass232.06
IUPAC NameN-methylsulfonylmethanesulfonamide;propan-1-amine
SMILESCCCN.CS(=O)(=O)NS(C)(=O)=O
InChIInChI=1S/C3H9N.C2H7NO4S2/c1-2-3-4;1-8(4,5)3-9(2,6)7/h2-4H2,1H3;3H,1-2H3
InChIKeyADKODAAPYHQLFU-UHFFFAOYSA-N
XLogP-1.15
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methylsulfonylmethanesulfonamide;propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methylsulfonylmethanesulfonamide;propan-1-amine?
The IUPAC name of N-methylsulfonylmethanesulfonamide;propan-1-amine (CID 118578089) is N-methylsulfonylmethanesulfonamide;propan-1-amine.
What is the SMILES notation for N-methylsulfonylmethanesulfonamide;propan-1-amine?
The canonical SMILES for N-methylsulfonylmethanesulfonamide;propan-1-amine is CCCN.CS(=O)(=O)NS(C)(=O)=O.
What is the InChIKey of N-methylsulfonylmethanesulfonamide;propan-1-amine?
The InChIKey is ADKODAAPYHQLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.C2H7NO4S2/c1-2-3-4;1-8(4,5)3-9(2,6)7/h2-4H2,1H3;3H,1-2H3.
What are the key properties of N-methylsulfonylmethanesulfonamide;propan-1-amine?
N-methylsulfonylmethanesulfonamide;propan-1-amine has a molecular weight of 232.33 g/mol, XLogP of -1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonylmethanesulfonamide;propan-1-amine is sourced from PubChem (CID 118578089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).