[di(propan-2-yl)amino]-oxosulfanium

C6H14NOS+ — CID 16694682

IUPAC[di(propan-2-yl)amino]-oxosulfanium
SMILESCC(C)N([S+]=O)C(C)C
InChIInChI=1S/C6H14NOS/c1-5(2)7(9-8)6(3)4/h5-6H,1-4H3/q+1
InChIKeyKDODRZRIAQTZOA-UHFFFAOYSA-N
MW148.25 g/mol
LogP1.45
Rot. Bonds3

About [di(propan-2-yl)amino]-oxosulfanium

[di(propan-2-yl)amino]-oxosulfanium (PubChem CID 16694682) has the molecular formula C6H14NOS+ and a molecular weight of 148.25 g/mol. Its IUPAC name is [di(propan-2-yl)amino]-oxosulfanium.

Molecular Properties

Compound Name[di(propan-2-yl)amino]-oxosulfanium
PubChem CID16694682
Molecular FormulaC6H14NOS+
Molecular Weight148.25 g/mol
Exact Mass148.08
IUPAC Name[di(propan-2-yl)amino]-oxosulfanium
SMILESCC(C)N([S+]=O)C(C)C
InChIInChI=1S/C6H14NOS/c1-5(2)7(9-8)6(3)4/h5-6H,1-4H3/q+1
InChIKeyKDODRZRIAQTZOA-UHFFFAOYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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 [di(propan-2-yl)amino]-oxosulfanium?
The IUPAC name of [di(propan-2-yl)amino]-oxosulfanium (CID 16694682) is [di(propan-2-yl)amino]-oxosulfanium.
What is the SMILES notation for [di(propan-2-yl)amino]-oxosulfanium?
The canonical SMILES for [di(propan-2-yl)amino]-oxosulfanium is CC(C)N([S+]=O)C(C)C.
What is the InChIKey of [di(propan-2-yl)amino]-oxosulfanium?
The InChIKey is KDODRZRIAQTZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NOS/c1-5(2)7(9-8)6(3)4/h5-6H,1-4H3/q+1.
What are the key properties of [di(propan-2-yl)amino]-oxosulfanium?
[di(propan-2-yl)amino]-oxosulfanium has a molecular weight of 148.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [di(propan-2-yl)amino]-oxosulfanium is sourced from PubChem (CID 16694682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).