1-(dimethylsulfamoylamino)-2-(methylamino)ethane

C5H15N3O2S — CID 58821213

IUPAC1-(dimethylsulfamoylamino)-2-(methylamino)ethane
SMILESCNCCNS(=O)(=O)N(C)C
InChIInChI=1S/C5H15N3O2S/c1-6-4-5-7-11(9,10)8(2)3/h6-7H,4-5H2,1-3H3
InChIKeyYFFWIPBOEQFJNP-UHFFFAOYSA-N
MW181.26 g/mol
LogP-1.40
Rot. Bonds5

About 1-(dimethylsulfamoylamino)-2-(methylamino)ethane

1-(dimethylsulfamoylamino)-2-(methylamino)ethane (PubChem CID 58821213) has the molecular formula C5H15N3O2S and a molecular weight of 181.26 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)-2-(methylamino)ethane.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)-2-(methylamino)ethane
PubChem CID58821213
Molecular FormulaC5H15N3O2S
Molecular Weight181.26 g/mol
Exact Mass181.09
IUPAC Name1-(dimethylsulfamoylamino)-2-(methylamino)ethane
SMILESCNCCNS(=O)(=O)N(C)C
InChIInChI=1S/C5H15N3O2S/c1-6-4-5-7-11(9,10)8(2)3/h6-7H,4-5H2,1-3H3
InChIKeyYFFWIPBOEQFJNP-UHFFFAOYSA-N
XLogP-1.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylpiperazine-1-sulfonamide
CID 1094966
Sulfamic acid, reaction products with diethylenetriamine
CID 90659467
Sulfamic acid, reaction products with triethylenetetramine
CID 90659468
N'-(2-(dimethylamino)ethyl)-N,N-dimethylsulfamide
CID 425313
[(2-Aminoethyl)sulfamoyl]dimethylamine hydrochloride
CID 14010266
N-[2-(methylamino)ethyl]methanesulfonamide hydrochloride
CID 54593131
N'-(2-aminoethyl)-N,N-dimethylsulfamide
CID 14010265
N-[2-(Methylamino)ethyl]methanesulfonamide
CID 541904
1-(Dimethylamino)-2-(dimethylsulfamoylamino)ethane;hydrochloride
CID 24194765
N-methylpiperazine-1-sulfonamide
CID 28775620
1-(Dimethylamino)-2-(sulfinatoamino)ethane
CID 57157022
Diethylammonium sulfamate
CID 134716121

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoylamino)-2-(methylamino)ethane?
The IUPAC name of 1-(dimethylsulfamoylamino)-2-(methylamino)ethane (CID 58821213) is 1-(dimethylsulfamoylamino)-2-(methylamino)ethane.
What is the SMILES notation for 1-(dimethylsulfamoylamino)-2-(methylamino)ethane?
The canonical SMILES for 1-(dimethylsulfamoylamino)-2-(methylamino)ethane is CNCCNS(=O)(=O)N(C)C.
What is the InChIKey of 1-(dimethylsulfamoylamino)-2-(methylamino)ethane?
The InChIKey is YFFWIPBOEQFJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3O2S/c1-6-4-5-7-11(9,10)8(2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-(dimethylsulfamoylamino)-2-(methylamino)ethane?
1-(dimethylsulfamoylamino)-2-(methylamino)ethane has a molecular weight of 181.26 g/mol, XLogP of -1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)-2-(methylamino)ethane is sourced from PubChem (CID 58821213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).