methyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane

C6H14N2OS — CID 122496136

IUPACmethyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane
SMILESCN=S(C)(=O)N1CCCC1
InChIInChI=1S/C6H14N2OS/c1-7-10(2,9)8-5-3-4-6-8/h3-6H2,1-2H3
InChIKeyRZEVDURVQGRYMQ-UHFFFAOYSA-N
MW162.26 g/mol
LogP0.72
Rot. Bonds1

About methyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane

methyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane (PubChem CID 122496136) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is methyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane.

Molecular Properties

Compound Namemethyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane
PubChem CID122496136
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC Namemethyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane
SMILESCN=S(C)(=O)N1CCCC1
InChIInChI=1S/C6H14N2OS/c1-7-10(2,9)8-5-3-4-6-8/h3-6H2,1-2H3
InChIKeyRZEVDURVQGRYMQ-UHFFFAOYSA-N
XLogP0.72
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane?
The IUPAC name of methyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane (CID 122496136) is methyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane.
What is the SMILES notation for methyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane?
The canonical SMILES for methyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane is CN=S(C)(=O)N1CCCC1.
What is the InChIKey of methyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane?
The InChIKey is RZEVDURVQGRYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-7-10(2,9)8-5-3-4-6-8/h3-6H2,1-2H3.
What are the key properties of methyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane?
methyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane has a molecular weight of 162.26 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane is sourced from PubChem (CID 122496136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).