(dipropylamino)-oxosulfanium

C6H14NOS+ — CID 172751080

IUPAC(dipropylamino)-oxosulfanium
SMILESCCCN(CCC)[S+]=O
InChIInChI=1S/C6H14NOS/c1-3-5-7(9-8)6-4-2/h3-6H2,1-2H3/q+1
InChIKeyKJNYTUSQCSLUOU-UHFFFAOYSA-N
MW148.25 g/mol
LogP1.45
Rot. Bonds5

About (dipropylamino)-oxosulfanium

(dipropylamino)-oxosulfanium (PubChem CID 172751080) has the molecular formula C6H14NOS+ and a molecular weight of 148.25 g/mol. Its IUPAC name is (dipropylamino)-oxosulfanium.

Molecular Properties

Compound Name(dipropylamino)-oxosulfanium
PubChem CID172751080
Molecular FormulaC6H14NOS+
Molecular Weight148.25 g/mol
Exact Mass148.08
IUPAC Name(dipropylamino)-oxosulfanium
SMILESCCCN(CCC)[S+]=O
InChIInChI=1S/C6H14NOS/c1-3-5-7(9-8)6-4-2/h3-6H2,1-2H3/q+1
InChIKeyKJNYTUSQCSLUOU-UHFFFAOYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (dipropylamino)-oxosulfanium?
The IUPAC name of (dipropylamino)-oxosulfanium (CID 172751080) is (dipropylamino)-oxosulfanium.
What is the SMILES notation for (dipropylamino)-oxosulfanium?
The canonical SMILES for (dipropylamino)-oxosulfanium is CCCN(CCC)[S+]=O.
What is the InChIKey of (dipropylamino)-oxosulfanium?
The InChIKey is KJNYTUSQCSLUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NOS/c1-3-5-7(9-8)6-4-2/h3-6H2,1-2H3/q+1.
What are the key properties of (dipropylamino)-oxosulfanium?
(dipropylamino)-oxosulfanium has a molecular weight of 148.25 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (dipropylamino)-oxosulfanium is sourced from PubChem (CID 172751080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).