2-(dimethylsulfamoylamino)ethyl-dimethylazanium chloride

C6H18ClN3O2S — CID 5458382

IUPAC2-(dimethylsulfamoylamino)ethyl-dimethylazanium chloride
SMILESCN(C)S(=O)(=O)NCC[NH+](C)C.[Cl-]
InChIInChI=1S/C6H17N3O2S.ClH/c1-8(2)6-5-7-12(10,11)9(3)4;/h7H,5-6H2,1-4H3;1H
InChIKeyRIDWLZHBFAPWFL-UHFFFAOYSA-N
MW231.75 g/mol
LogP-5.47
Rot. Bonds5

About 2-(dimethylsulfamoylamino)ethyl-dimethylazanium chloride

2-(dimethylsulfamoylamino)ethyl-dimethylazanium chloride (PubChem CID 5458382) has the molecular formula C6H18ClN3O2S and a molecular weight of 231.75 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)ethyl-dimethylazanium chloride.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)ethyl-dimethylazanium chloride
PubChem CID5458382
Molecular FormulaC6H18ClN3O2S
Molecular Weight231.75 g/mol
Exact Mass231.08
IUPAC Name2-(dimethylsulfamoylamino)ethyl-dimethylazanium chloride
SMILESCN(C)S(=O)(=O)NCC[NH+](C)C.[Cl-]
InChIInChI=1S/C6H17N3O2S.ClH/c1-8(2)6-5-7-12(10,11)9(3)4;/h7H,5-6H2,1-4H3;1H
InChIKeyRIDWLZHBFAPWFL-UHFFFAOYSA-N
XLogP-5.47
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 5-5.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)ethyl-dimethylazanium chloride?
The IUPAC name of 2-(dimethylsulfamoylamino)ethyl-dimethylazanium chloride (CID 5458382) is 2-(dimethylsulfamoylamino)ethyl-dimethylazanium chloride.
What is the SMILES notation for 2-(dimethylsulfamoylamino)ethyl-dimethylazanium chloride?
The canonical SMILES for 2-(dimethylsulfamoylamino)ethyl-dimethylazanium chloride is CN(C)S(=O)(=O)NCC[NH+](C)C.[Cl-].
What is the InChIKey of 2-(dimethylsulfamoylamino)ethyl-dimethylazanium chloride?
The InChIKey is RIDWLZHBFAPWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3O2S.ClH/c1-8(2)6-5-7-12(10,11)9(3)4;/h7H,5-6H2,1-4H3;1H.
What are the key properties of 2-(dimethylsulfamoylamino)ethyl-dimethylazanium chloride?
2-(dimethylsulfamoylamino)ethyl-dimethylazanium chloride has a molecular weight of 231.75 g/mol, XLogP of -5.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)ethyl-dimethylazanium chloride is sourced from PubChem (CID 5458382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).