2-hydroxyethyl(trimethyl)azanium;thiophene

C9H18NOS+ — CID 69398797

IUPAC2-hydroxyethyl(trimethyl)azanium;thiophene
SMILESC[N+](C)(C)CCO.c1ccsc1
InChIInChI=1S/C5H14NO.C4H4S/c1-6(2,3)4-5-7;1-2-4-5-3-1/h7H,4-5H2,1-3H3;1-4H/q+1;
InChIKeyPKZXWARCQBEIKE-UHFFFAOYSA-N
MW188.32 g/mol
LogP1.43
Rot. Bonds2

About 2-hydroxyethyl(trimethyl)azanium;thiophene

2-hydroxyethyl(trimethyl)azanium;thiophene (PubChem CID 69398797) has the molecular formula C9H18NOS+ and a molecular weight of 188.32 g/mol. Its IUPAC name is 2-hydroxyethyl(trimethyl)azanium;thiophene.

Molecular Properties

Compound Name2-hydroxyethyl(trimethyl)azanium;thiophene
PubChem CID69398797
Molecular FormulaC9H18NOS+
Molecular Weight188.32 g/mol
Exact Mass188.11
IUPAC Name2-hydroxyethyl(trimethyl)azanium;thiophene
SMILESC[N+](C)(C)CCO.c1ccsc1
InChIInChI=1S/C5H14NO.C4H4S/c1-6(2,3)4-5-7;1-2-4-5-3-1/h7H,4-5H2,1-3H3;1-4H/q+1;
InChIKeyPKZXWARCQBEIKE-UHFFFAOYSA-N
XLogP1.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 51.43
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-hydroxyethyl(trimethyl)azanium;thiophene?
The IUPAC name of 2-hydroxyethyl(trimethyl)azanium;thiophene (CID 69398797) is 2-hydroxyethyl(trimethyl)azanium;thiophene.
What is the SMILES notation for 2-hydroxyethyl(trimethyl)azanium;thiophene?
The canonical SMILES for 2-hydroxyethyl(trimethyl)azanium;thiophene is C[N+](C)(C)CCO.c1ccsc1.
What is the InChIKey of 2-hydroxyethyl(trimethyl)azanium;thiophene?
The InChIKey is PKZXWARCQBEIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO.C4H4S/c1-6(2,3)4-5-7;1-2-4-5-3-1/h7H,4-5H2,1-3H3;1-4H/q+1;.
What are the key properties of 2-hydroxyethyl(trimethyl)azanium;thiophene?
2-hydroxyethyl(trimethyl)azanium;thiophene has a molecular weight of 188.32 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(trimethyl)azanium;thiophene is sourced from PubChem (CID 69398797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).