cyclopropyl-methylidene-[3-(2-methylpropyl)pyrrolidin-1-yl]-oxo-λ6-sulfane

C12H23NOS — CID 162067603

IUPACcyclopropyl-methylidene-[3-(2-methylpropyl)pyrrolidin-1-yl]-oxo-λ6-sulfane
SMILESC=S(=O)(C1CC1)N1CCC(CC(C)C)C1
InChIInChI=1S/C12H23NOS/c1-10(2)8-11-6-7-13(9-11)15(3,14)12-4-5-12/h10-12H,3-9H2,1-2H3
InChIKeyWPHYRZBHGVZHPE-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.15
Rot. Bonds4

About cyclopropyl-methylidene-[3-(2-methylpropyl)pyrrolidin-1-yl]-oxo-λ6-sulfane

cyclopropyl-methylidene-[3-(2-methylpropyl)pyrrolidin-1-yl]-oxo-λ6-sulfane (PubChem CID 162067603) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is cyclopropyl-methylidene-[3-(2-methylpropyl)pyrrolidin-1-yl]-oxo-λ6-sulfane.

Molecular Properties

Compound Namecyclopropyl-methylidene-[3-(2-methylpropyl)pyrrolidin-1-yl]-oxo-λ6-sulfane
PubChem CID162067603
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Namecyclopropyl-methylidene-[3-(2-methylpropyl)pyrrolidin-1-yl]-oxo-λ6-sulfane
SMILESC=S(=O)(C1CC1)N1CCC(CC(C)C)C1
InChIInChI=1S/C12H23NOS/c1-10(2)8-11-6-7-13(9-11)15(3,14)12-4-5-12/h10-12H,3-9H2,1-2H3
InChIKeyWPHYRZBHGVZHPE-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-methylidene-[3-(2-methylpropyl)pyrrolidin-1-yl]-oxo-λ6-sulfane?
The IUPAC name of cyclopropyl-methylidene-[3-(2-methylpropyl)pyrrolidin-1-yl]-oxo-λ6-sulfane (CID 162067603) is cyclopropyl-methylidene-[3-(2-methylpropyl)pyrrolidin-1-yl]-oxo-λ6-sulfane.
What is the SMILES notation for cyclopropyl-methylidene-[3-(2-methylpropyl)pyrrolidin-1-yl]-oxo-λ6-sulfane?
The canonical SMILES for cyclopropyl-methylidene-[3-(2-methylpropyl)pyrrolidin-1-yl]-oxo-λ6-sulfane is C=S(=O)(C1CC1)N1CCC(CC(C)C)C1.
What is the InChIKey of cyclopropyl-methylidene-[3-(2-methylpropyl)pyrrolidin-1-yl]-oxo-λ6-sulfane?
The InChIKey is WPHYRZBHGVZHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-10(2)8-11-6-7-13(9-11)15(3,14)12-4-5-12/h10-12H,3-9H2,1-2H3.
What are the key properties of cyclopropyl-methylidene-[3-(2-methylpropyl)pyrrolidin-1-yl]-oxo-λ6-sulfane?
cyclopropyl-methylidene-[3-(2-methylpropyl)pyrrolidin-1-yl]-oxo-λ6-sulfane has a molecular weight of 229.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-methylidene-[3-(2-methylpropyl)pyrrolidin-1-yl]-oxo-λ6-sulfane is sourced from PubChem (CID 162067603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).