N-methyl-N-[3-(methylamino)propyl]methanesulfonamide

C6H16N2O2S — CID 79007051

IUPACN-methyl-N-[3-(methylamino)propyl]methanesulfonamide
SMILESCNCCCN(C)S(C)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-7-5-4-6-8(2)11(3,9)10/h7H,4-6H2,1-3H3
InChIKeyZCLAPQNMXBRFGV-UHFFFAOYSA-N
MW180.27 g/mol
LogP-0.51
Rot. Bonds5

About N-methyl-N-[3-(methylamino)propyl]methanesulfonamide

N-methyl-N-[3-(methylamino)propyl]methanesulfonamide (PubChem CID 79007051) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is N-methyl-N-[3-(methylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[3-(methylamino)propyl]methanesulfonamide
PubChem CID79007051
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC NameN-methyl-N-[3-(methylamino)propyl]methanesulfonamide
SMILESCNCCCN(C)S(C)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-7-5-4-6-8(2)11(3,9)10/h7H,4-6H2,1-3H3
InChIKeyZCLAPQNMXBRFGV-UHFFFAOYSA-N
XLogP-0.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(methylamino)propyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[3-(methylamino)propyl]methanesulfonamide (CID 79007051) is N-methyl-N-[3-(methylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[3-(methylamino)propyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[3-(methylamino)propyl]methanesulfonamide is CNCCCN(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[3-(methylamino)propyl]methanesulfonamide?
The InChIKey is ZCLAPQNMXBRFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-7-5-4-6-8(2)11(3,9)10/h7H,4-6H2,1-3H3.
What are the key properties of N-methyl-N-[3-(methylamino)propyl]methanesulfonamide?
N-methyl-N-[3-(methylamino)propyl]methanesulfonamide has a molecular weight of 180.27 g/mol, XLogP of -0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(methylamino)propyl]methanesulfonamide is sourced from PubChem (CID 79007051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).