dipropyl(2-sulfanylethyl)azanium

C8H20NS+ — CID 40523246

IUPACdipropyl(2-sulfanylethyl)azanium
SMILESCCC[NH+](CCC)CCS
InChIInChI=1S/C8H19NS/c1-3-5-9(6-4-2)7-8-10/h10H,3-8H2,1-2H3/p+1
InChIKeyYYXYWIASFOLDSO-UHFFFAOYSA-O
MW162.32 g/mol
LogP0.62
Rot. Bonds6

About dipropyl(2-sulfanylethyl)azanium

dipropyl(2-sulfanylethyl)azanium (PubChem CID 40523246) has the molecular formula C8H20NS+ and a molecular weight of 162.32 g/mol. Its IUPAC name is dipropyl(2-sulfanylethyl)azanium.

Molecular Properties

Compound Namedipropyl(2-sulfanylethyl)azanium
PubChem CID40523246
Molecular FormulaC8H20NS+
Molecular Weight162.32 g/mol
Exact Mass162.13
IUPAC Namedipropyl(2-sulfanylethyl)azanium
SMILESCCC[NH+](CCC)CCS
InChIInChI=1S/C8H19NS/c1-3-5-9(6-4-2)7-8-10/h10H,3-8H2,1-2H3/p+1
InChIKeyYYXYWIASFOLDSO-UHFFFAOYSA-O
XLogP0.62
TPSA4.44 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.32
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dipropyl(2-sulfanylethyl)azanium?
The IUPAC name of dipropyl(2-sulfanylethyl)azanium (CID 40523246) is dipropyl(2-sulfanylethyl)azanium.
What is the SMILES notation for dipropyl(2-sulfanylethyl)azanium?
The canonical SMILES for dipropyl(2-sulfanylethyl)azanium is CCC[NH+](CCC)CCS.
What is the InChIKey of dipropyl(2-sulfanylethyl)azanium?
The InChIKey is YYXYWIASFOLDSO-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H19NS/c1-3-5-9(6-4-2)7-8-10/h10H,3-8H2,1-2H3/p+1.
What are the key properties of dipropyl(2-sulfanylethyl)azanium?
dipropyl(2-sulfanylethyl)azanium has a molecular weight of 162.32 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl(2-sulfanylethyl)azanium is sourced from PubChem (CID 40523246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).