N-[3-(dimethylamino)propyl]methanesulfonamide;methane

C7H20N2O2S — CID 160577758

IUPACN-[3-(dimethylamino)propyl]methanesulfonamide;methane
SMILESC.CN(C)CCCNS(C)(=O)=O
InChIInChI=1S/C6H16N2O2S.CH4/c1-8(2)6-4-5-7-11(3,9)10;/h7H,4-6H2,1-3H3;1H4
InChIKeyRBJLAFLHXWBBEV-UHFFFAOYSA-N
MW196.32 g/mol
LogP0.12
Rot. Bonds5

About N-[3-(dimethylamino)propyl]methanesulfonamide;methane

N-[3-(dimethylamino)propyl]methanesulfonamide;methane (PubChem CID 160577758) has the molecular formula C7H20N2O2S and a molecular weight of 196.32 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]methanesulfonamide;methane.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]methanesulfonamide;methane
PubChem CID160577758
Molecular FormulaC7H20N2O2S
Molecular Weight196.32 g/mol
Exact Mass196.12
IUPAC NameN-[3-(dimethylamino)propyl]methanesulfonamide;methane
SMILESC.CN(C)CCCNS(C)(=O)=O
InChIInChI=1S/C6H16N2O2S.CH4/c1-8(2)6-4-5-7-11(3,9)10;/h7H,4-6H2,1-3H3;1H4
InChIKeyRBJLAFLHXWBBEV-UHFFFAOYSA-N
XLogP0.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylamino)propyl]methanesulfonamide;methane with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-Aminopropyl)methanesulfonamide
CID 18350602
N-(3-aminopropyl)-N-methylethane-1-sulfonamide
CID 28387158
N-(3-aminopropyl)-N-methylmethanesulfonamide hydrochloride
CID 122163908
N-[3-(methylamino)propyl]methanesulfonamide
CID 23573809
N-(3-aminopropyl)-N-ethylmethanesulfonamide
CID 23010540
N-[3-(2,2-dimethylpropylamino)propyl]methanesulfonamide
CID 53584383
N-(3-aminopropyl)-N-methylmethanesulfonamide
CID 23010539
[3-(Fluorosulfonylamino)propyl-dimethylazaniumyl]methanesulfonate
CID 140799762
N-[3-(dimethylamino)propyl]propane-1-sulfonamide
CID 60641853
N-dimethylbutylammonium methanesulfonate
CID 167713500
N-(3-aminopropyl)-1,1-difluoro-N-propylmethanesulfonamide
CID 43136941
N-ethyl-N-[3-(2-fluoroethylamino)propyl]methanesulfonamide
CID 80695162

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]methanesulfonamide;methane?
The IUPAC name of N-[3-(dimethylamino)propyl]methanesulfonamide;methane (CID 160577758) is N-[3-(dimethylamino)propyl]methanesulfonamide;methane.
What is the SMILES notation for N-[3-(dimethylamino)propyl]methanesulfonamide;methane?
The canonical SMILES for N-[3-(dimethylamino)propyl]methanesulfonamide;methane is C.CN(C)CCCNS(C)(=O)=O.
What is the InChIKey of N-[3-(dimethylamino)propyl]methanesulfonamide;methane?
The InChIKey is RBJLAFLHXWBBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S.CH4/c1-8(2)6-4-5-7-11(3,9)10;/h7H,4-6H2,1-3H3;1H4.
What are the key properties of N-[3-(dimethylamino)propyl]methanesulfonamide;methane?
N-[3-(dimethylamino)propyl]methanesulfonamide;methane has a molecular weight of 196.32 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]methanesulfonamide;methane is sourced from PubChem (CID 160577758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).