N-[2-[2-(dimethylamino)ethylamino]ethyl]methanesulfonamide

C7H19N3O2S — CID 43546052

IUPACN-[2-[2-(dimethylamino)ethylamino]ethyl]methanesulfonamide
SMILESCN(C)CCNCCNS(C)(=O)=O
InChIInChI=1S/C7H19N3O2S/c1-10(2)7-6-8-4-5-9-13(3,11)12/h8-9H,4-7H2,1-3H3
InChIKeyFFGSLFTYCUVJSO-UHFFFAOYSA-N
MW209.31 g/mol
LogP-1.31
Rot. Bonds7

About N-[2-[2-(dimethylamino)ethylamino]ethyl]methanesulfonamide

N-[2-[2-(dimethylamino)ethylamino]ethyl]methanesulfonamide (PubChem CID 43546052) has the molecular formula C7H19N3O2S and a molecular weight of 209.31 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethylamino]ethyl]methanesulfonamide
PubChem CID43546052
Molecular FormulaC7H19N3O2S
Molecular Weight209.31 g/mol
Exact Mass209.12
IUPAC NameN-[2-[2-(dimethylamino)ethylamino]ethyl]methanesulfonamide
SMILESCN(C)CCNCCNS(C)(=O)=O
InChIInChI=1S/C7H19N3O2S/c1-10(2)7-6-8-4-5-9-13(3,11)12/h8-9H,4-7H2,1-3H3
InChIKeyFFGSLFTYCUVJSO-UHFFFAOYSA-N
XLogP-1.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methylsulfonylpropylamino)ethyl]methanesulfonamide
CID 63190802
N-[2-(but-3-ynylamino)ethyl]methanesulfonamide
CID 63655454
N-[2-[2-(4-methylpiperazin-1-yl)ethylamino]ethyl]methanesulfonamide
CID 82888935
N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine
CID 106513174
N-[2-(2-methylpropylamino)ethyl]methanesulfonamide
CID 28731714
N-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]methanesulfonamide
CID 141436059
N-[2-(dimethylamino)ethyl]-N-[3-(methanesulfonamido)propyl]acetamide
CID 122677934
N',N'-dimethyl-N-propylethane-1,2-diamine;ethane
CID 134080811
N',N'-dimethyl-N-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190616
N-[2-[2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethylamino]ethyl]-2-methylprop-2-enamide
CID 139973185
N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide
CID 60602606
N',N'-dimethyl-N-(3-methylsulfonylpropyl)butane-1,4-diamine
CID 63191501

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethylamino]ethyl]methanesulfonamide (CID 43546052) is N-[2-[2-(dimethylamino)ethylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethylamino]ethyl]methanesulfonamide is CN(C)CCNCCNS(C)(=O)=O.
What is the InChIKey of N-[2-[2-(dimethylamino)ethylamino]ethyl]methanesulfonamide?
The InChIKey is FFGSLFTYCUVJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3O2S/c1-10(2)7-6-8-4-5-9-13(3,11)12/h8-9H,4-7H2,1-3H3.
What are the key properties of N-[2-[2-(dimethylamino)ethylamino]ethyl]methanesulfonamide?
N-[2-[2-(dimethylamino)ethylamino]ethyl]methanesulfonamide has a molecular weight of 209.31 g/mol, XLogP of -1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 43546052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).