2-(methanesulfonamido)ethyl-trimethylazanium

C6H17N2O2S+ — CID 21040277

IUPAC2-(methanesulfonamido)ethyl-trimethylazanium
SMILESC[N+](C)(C)CCNS(C)(=O)=O
InChIInChI=1S/C6H17N2O2S/c1-8(2,3)6-5-7-11(4,9)10/h7H,5-6H2,1-4H3/q+1
InChIKeyPRZWDPRRGDJHDG-UHFFFAOYSA-N
MW181.28 g/mol
LogP-0.76
Rot. Bonds4

About 2-(methanesulfonamido)ethyl-trimethylazanium

2-(methanesulfonamido)ethyl-trimethylazanium (PubChem CID 21040277) has the molecular formula C6H17N2O2S+ and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(methanesulfonamido)ethyl-trimethylazanium.

Molecular Properties

Compound Name2-(methanesulfonamido)ethyl-trimethylazanium
PubChem CID21040277
Molecular FormulaC6H17N2O2S+
Molecular Weight181.28 g/mol
Exact Mass181.10
IUPAC Name2-(methanesulfonamido)ethyl-trimethylazanium
SMILESC[N+](C)(C)CCNS(C)(=O)=O
InChIInChI=1S/C6H17N2O2S/c1-8(2,3)6-5-7-11(4,9)10/h7H,5-6H2,1-4H3/q+1
InChIKeyPRZWDPRRGDJHDG-UHFFFAOYSA-N
XLogP-0.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)ethyl-trimethylazanium?
The IUPAC name of 2-(methanesulfonamido)ethyl-trimethylazanium (CID 21040277) is 2-(methanesulfonamido)ethyl-trimethylazanium.
What is the SMILES notation for 2-(methanesulfonamido)ethyl-trimethylazanium?
The canonical SMILES for 2-(methanesulfonamido)ethyl-trimethylazanium is C[N+](C)(C)CCNS(C)(=O)=O.
What is the InChIKey of 2-(methanesulfonamido)ethyl-trimethylazanium?
The InChIKey is PRZWDPRRGDJHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N2O2S/c1-8(2,3)6-5-7-11(4,9)10/h7H,5-6H2,1-4H3/q+1.
What are the key properties of 2-(methanesulfonamido)ethyl-trimethylazanium?
2-(methanesulfonamido)ethyl-trimethylazanium has a molecular weight of 181.28 g/mol, XLogP of -0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)ethyl-trimethylazanium is sourced from PubChem (CID 21040277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).