3-aminopropyl(dimethyl)sulfanium

C5H14NS+ — CID 4265180

IUPAC3-aminopropyl(dimethyl)sulfanium
SMILESC[S+](C)CCCN
InChIInChI=1S/C5H14NS/c1-7(2)5-3-4-6/h3-6H2,1-2H3/q+1
InChIKeyXTPSFJKQTTVFCK-UHFFFAOYSA-N
MW120.24 g/mol
LogP0.21
Rot. Bonds3

About 3-aminopropyl(dimethyl)sulfanium

3-aminopropyl(dimethyl)sulfanium (PubChem CID 4265180) has the molecular formula C5H14NS+ and a molecular weight of 120.24 g/mol. Its IUPAC name is 3-aminopropyl(dimethyl)sulfanium.

Molecular Properties

Compound Name3-aminopropyl(dimethyl)sulfanium
PubChem CID4265180
Molecular FormulaC5H14NS+
Molecular Weight120.24 g/mol
Exact Mass120.08
IUPAC Name3-aminopropyl(dimethyl)sulfanium
SMILESC[S+](C)CCCN
InChIInChI=1S/C5H14NS/c1-7(2)5-3-4-6/h3-6H2,1-2H3/q+1
InChIKeyXTPSFJKQTTVFCK-UHFFFAOYSA-N
XLogP0.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.24
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl(dimethyl)sulfanium?
The IUPAC name of 3-aminopropyl(dimethyl)sulfanium (CID 4265180) is 3-aminopropyl(dimethyl)sulfanium.
What is the SMILES notation for 3-aminopropyl(dimethyl)sulfanium?
The canonical SMILES for 3-aminopropyl(dimethyl)sulfanium is C[S+](C)CCCN.
What is the InChIKey of 3-aminopropyl(dimethyl)sulfanium?
The InChIKey is XTPSFJKQTTVFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NS/c1-7(2)5-3-4-6/h3-6H2,1-2H3/q+1.
What are the key properties of 3-aminopropyl(dimethyl)sulfanium?
3-aminopropyl(dimethyl)sulfanium has a molecular weight of 120.24 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl(dimethyl)sulfanium is sourced from PubChem (CID 4265180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).