cyclopropyl-methyl-(1-methylpiperidin-4-yl)imino-oxo-λ6-sulfane

C10H20N2OS — CID 156576236

IUPACcyclopropyl-methyl-(1-methylpiperidin-4-yl)imino-oxo-λ6-sulfane
SMILESCN1CCC(N=S(C)(=O)C2CC2)CC1
InChIInChI=1S/C10H20N2OS/c1-12-7-5-9(6-8-12)11-14(2,13)10-3-4-10/h9-10H,3-8H2,1-2H3
InChIKeyFTZOUYWKESMBMB-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.34
Rot. Bonds2

About cyclopropyl-methyl-(1-methylpiperidin-4-yl)imino-oxo-λ6-sulfane

cyclopropyl-methyl-(1-methylpiperidin-4-yl)imino-oxo-λ6-sulfane (PubChem CID 156576236) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is cyclopropyl-methyl-(1-methylpiperidin-4-yl)imino-oxo-λ6-sulfane.

Molecular Properties

Compound Namecyclopropyl-methyl-(1-methylpiperidin-4-yl)imino-oxo-λ6-sulfane
PubChem CID156576236
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Namecyclopropyl-methyl-(1-methylpiperidin-4-yl)imino-oxo-λ6-sulfane
SMILESCN1CCC(N=S(C)(=O)C2CC2)CC1
InChIInChI=1S/C10H20N2OS/c1-12-7-5-9(6-8-12)11-14(2,13)10-3-4-10/h9-10H,3-8H2,1-2H3
InChIKeyFTZOUYWKESMBMB-UHFFFAOYSA-N
XLogP1.34
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-methyl-(1-methylpiperidin-4-yl)imino-oxo-λ6-sulfane?
The IUPAC name of cyclopropyl-methyl-(1-methylpiperidin-4-yl)imino-oxo-λ6-sulfane (CID 156576236) is cyclopropyl-methyl-(1-methylpiperidin-4-yl)imino-oxo-λ6-sulfane.
What is the SMILES notation for cyclopropyl-methyl-(1-methylpiperidin-4-yl)imino-oxo-λ6-sulfane?
The canonical SMILES for cyclopropyl-methyl-(1-methylpiperidin-4-yl)imino-oxo-λ6-sulfane is CN1CCC(N=S(C)(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-methyl-(1-methylpiperidin-4-yl)imino-oxo-λ6-sulfane?
The InChIKey is FTZOUYWKESMBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-12-7-5-9(6-8-12)11-14(2,13)10-3-4-10/h9-10H,3-8H2,1-2H3.
What are the key properties of cyclopropyl-methyl-(1-methylpiperidin-4-yl)imino-oxo-λ6-sulfane?
cyclopropyl-methyl-(1-methylpiperidin-4-yl)imino-oxo-λ6-sulfane has a molecular weight of 216.35 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-methyl-(1-methylpiperidin-4-yl)imino-oxo-λ6-sulfane is sourced from PubChem (CID 156576236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).