tert-butyl-imino-oxo-propan-2-yl-λ6-sulfane

C7H17NOS — CID 125457263

IUPACtert-butyl-imino-oxo-propan-2-yl-λ6-sulfane
SMILES[H]N=[S@](=O)(C(C)C)C(C)(C)C
InChIInChI=1S/C7H17NOS/c1-6(2)10(8,9)7(3,4)5/h6,8H,1-5H3/t10-/m0/s1
InChIKeyYDDWIXSWRMMFED-JTQLQIEISA-N
MW163.29 g/mol
LogP2.24
Rot. Bonds1

About tert-butyl-imino-oxo-propan-2-yl-λ6-sulfane

tert-butyl-imino-oxo-propan-2-yl-λ6-sulfane (PubChem CID 125457263) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is tert-butyl-imino-oxo-propan-2-yl-λ6-sulfane.

Molecular Properties

Compound Nametert-butyl-imino-oxo-propan-2-yl-λ6-sulfane
PubChem CID125457263
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Nametert-butyl-imino-oxo-propan-2-yl-λ6-sulfane
SMILES[H]N=[S@](=O)(C(C)C)C(C)(C)C
InChIInChI=1S/C7H17NOS/c1-6(2)10(8,9)7(3,4)5/h6,8H,1-5H3/t10-/m0/s1
InChIKeyYDDWIXSWRMMFED-JTQLQIEISA-N
XLogP2.24
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-imino-oxo-propan-2-yl-λ6-sulfane?
The IUPAC name of tert-butyl-imino-oxo-propan-2-yl-λ6-sulfane (CID 125457263) is tert-butyl-imino-oxo-propan-2-yl-λ6-sulfane.
What is the SMILES notation for tert-butyl-imino-oxo-propan-2-yl-λ6-sulfane?
The canonical SMILES for tert-butyl-imino-oxo-propan-2-yl-λ6-sulfane is [H]N=[S@](=O)(C(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl-imino-oxo-propan-2-yl-λ6-sulfane?
The InChIKey is YDDWIXSWRMMFED-JTQLQIEISA-N. The full InChI is InChI=1S/C7H17NOS/c1-6(2)10(8,9)7(3,4)5/h6,8H,1-5H3/t10-/m0/s1.
What are the key properties of tert-butyl-imino-oxo-propan-2-yl-λ6-sulfane?
tert-butyl-imino-oxo-propan-2-yl-λ6-sulfane has a molecular weight of 163.29 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-imino-oxo-propan-2-yl-λ6-sulfane is sourced from PubChem (CID 125457263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).