methylimino-oxo-dipropyl-λ6-sulfane

C7H17NOS — CID 58308291

IUPACmethylimino-oxo-dipropyl-λ6-sulfane
SMILESCCCS(=O)(CCC)=NC
InChIInChI=1S/C7H17NOS/c1-4-6-10(9,8-3)7-5-2/h4-7H2,1-3H3
InChIKeyMDCCNSOJYHVELL-UHFFFAOYSA-N
MW163.29 g/mol
LogP1.90
Rot. Bonds4

About methylimino-oxo-dipropyl-λ6-sulfane

methylimino-oxo-dipropyl-λ6-sulfane (PubChem CID 58308291) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is methylimino-oxo-dipropyl-λ6-sulfane.

Molecular Properties

Compound Namemethylimino-oxo-dipropyl-λ6-sulfane
PubChem CID58308291
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Namemethylimino-oxo-dipropyl-λ6-sulfane
SMILESCCCS(=O)(CCC)=NC
InChIInChI=1S/C7H17NOS/c1-4-6-10(9,8-3)7-5-2/h4-7H2,1-3H3
InChIKeyMDCCNSOJYHVELL-UHFFFAOYSA-N
XLogP1.90
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methylimino-oxo-dipropyl-λ6-sulfane?
The IUPAC name of methylimino-oxo-dipropyl-λ6-sulfane (CID 58308291) is methylimino-oxo-dipropyl-λ6-sulfane.
What is the SMILES notation for methylimino-oxo-dipropyl-λ6-sulfane?
The canonical SMILES for methylimino-oxo-dipropyl-λ6-sulfane is CCCS(=O)(CCC)=NC.
What is the InChIKey of methylimino-oxo-dipropyl-λ6-sulfane?
The InChIKey is MDCCNSOJYHVELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS/c1-4-6-10(9,8-3)7-5-2/h4-7H2,1-3H3.
What are the key properties of methylimino-oxo-dipropyl-λ6-sulfane?
methylimino-oxo-dipropyl-λ6-sulfane has a molecular weight of 163.29 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylimino-oxo-dipropyl-λ6-sulfane is sourced from PubChem (CID 58308291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).