tert-butyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane

C9H20N2OS — CID 169016731

IUPACtert-butyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane
SMILESCN=S(=O)(N1CCCC1)C(C)(C)C
InChIInChI=1S/C9H20N2OS/c1-9(2,3)13(12,10-4)11-7-5-6-8-11/h5-8H2,1-4H3
InChIKeyIEDSCCBJNKXZNS-UHFFFAOYSA-N
MW204.34 g/mol
LogP1.89
Rot. Bonds1

About tert-butyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane

tert-butyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane (PubChem CID 169016731) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is tert-butyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane.

Molecular Properties

Compound Nametert-butyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane
PubChem CID169016731
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Nametert-butyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane
SMILESCN=S(=O)(N1CCCC1)C(C)(C)C
InChIInChI=1S/C9H20N2OS/c1-9(2,3)13(12,10-4)11-7-5-6-8-11/h5-8H2,1-4H3
InChIKeyIEDSCCBJNKXZNS-UHFFFAOYSA-N
XLogP1.89
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane?
The IUPAC name of tert-butyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane (CID 169016731) is tert-butyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane.
What is the SMILES notation for tert-butyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane?
The canonical SMILES for tert-butyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane is CN=S(=O)(N1CCCC1)C(C)(C)C.
What is the InChIKey of tert-butyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane?
The InChIKey is IEDSCCBJNKXZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-9(2,3)13(12,10-4)11-7-5-6-8-11/h5-8H2,1-4H3.
What are the key properties of tert-butyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane?
tert-butyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane has a molecular weight of 204.34 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-methylimino-oxo-pyrrolidin-1-yl-λ6-sulfane is sourced from PubChem (CID 169016731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).