tripropyl(2-sulfanylethyl)azanium

C11H26NS+ — CID 19896319

IUPACtripropyl(2-sulfanylethyl)azanium
SMILESCCC[N+](CCC)(CCC)CCS
InChIInChI=1S/C11H25NS/c1-4-7-12(8-5-2,9-6-3)10-11-13/h4-11H2,1-3H3/p+1
InChIKeyZXABBSHWDXGNDK-UHFFFAOYSA-O
MW204.40 g/mol
LogP2.96
Rot. Bonds8

About tripropyl(2-sulfanylethyl)azanium

tripropyl(2-sulfanylethyl)azanium (PubChem CID 19896319) has the molecular formula C11H26NS+ and a molecular weight of 204.40 g/mol. Its IUPAC name is tripropyl(2-sulfanylethyl)azanium.

Molecular Properties

Compound Nametripropyl(2-sulfanylethyl)azanium
PubChem CID19896319
Molecular FormulaC11H26NS+
Molecular Weight204.40 g/mol
Exact Mass204.18
IUPAC Nametripropyl(2-sulfanylethyl)azanium
SMILESCCC[N+](CCC)(CCC)CCS
InChIInChI=1S/C11H25NS/c1-4-7-12(8-5-2,9-6-3)10-11-13/h4-11H2,1-3H3/p+1
InChIKeyZXABBSHWDXGNDK-UHFFFAOYSA-O
XLogP2.96
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tripropyl(2-sulfanylethyl)azanium?
The IUPAC name of tripropyl(2-sulfanylethyl)azanium (CID 19896319) is tripropyl(2-sulfanylethyl)azanium.
What is the SMILES notation for tripropyl(2-sulfanylethyl)azanium?
The canonical SMILES for tripropyl(2-sulfanylethyl)azanium is CCC[N+](CCC)(CCC)CCS.
What is the InChIKey of tripropyl(2-sulfanylethyl)azanium?
The InChIKey is ZXABBSHWDXGNDK-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H25NS/c1-4-7-12(8-5-2,9-6-3)10-11-13/h4-11H2,1-3H3/p+1.
What are the key properties of tripropyl(2-sulfanylethyl)azanium?
tripropyl(2-sulfanylethyl)azanium has a molecular weight of 204.40 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tripropyl(2-sulfanylethyl)azanium is sourced from PubChem (CID 19896319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).