methyl-(3-methyl-4-pyridin-2-yloxypyrrolidin-1-yl)-sulfanylidene-λ4-sulfane

C11H16N2OS2 — CID 134557189

IUPACmethyl-(3-methyl-4-pyridin-2-yloxypyrrolidin-1-yl)-sulfanylidene-λ4-sulfane
SMILESCC1CN(S(C)=S)CC1Oc1ccccn1
InChIInChI=1S/C11H16N2OS2/c1-9-7-13(16(2)15)8-10(9)14-11-5-3-4-6-12-11/h3-6,9-10H,7-8H2,1-2H3
InChIKeyUSMKTLBSKFDGQO-UHFFFAOYSA-N
MW256.40 g/mol
LogP1.41
Rot. Bonds3

About methyl-(3-methyl-4-pyridin-2-yloxypyrrolidin-1-yl)-sulfanylidene-λ4-sulfane

methyl-(3-methyl-4-pyridin-2-yloxypyrrolidin-1-yl)-sulfanylidene-λ4-sulfane (PubChem CID 134557189) has the molecular formula C11H16N2OS2 and a molecular weight of 256.40 g/mol. Its IUPAC name is methyl-(3-methyl-4-pyridin-2-yloxypyrrolidin-1-yl)-sulfanylidene-λ4-sulfane.

Molecular Properties

Compound Namemethyl-(3-methyl-4-pyridin-2-yloxypyrrolidin-1-yl)-sulfanylidene-λ4-sulfane
PubChem CID134557189
Molecular FormulaC11H16N2OS2
Molecular Weight256.40 g/mol
Exact Mass256.07
IUPAC Namemethyl-(3-methyl-4-pyridin-2-yloxypyrrolidin-1-yl)-sulfanylidene-λ4-sulfane
SMILESCC1CN(S(C)=S)CC1Oc1ccccn1
InChIInChI=1S/C11H16N2OS2/c1-9-7-13(16(2)15)8-10(9)14-11-5-3-4-6-12-11/h3-6,9-10H,7-8H2,1-2H3
InChIKeyUSMKTLBSKFDGQO-UHFFFAOYSA-N
XLogP1.41
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl-(3-methyl-4-pyridin-2-yloxypyrrolidin-1-yl)-sulfanylidene-λ4-sulfane?
The IUPAC name of methyl-(3-methyl-4-pyridin-2-yloxypyrrolidin-1-yl)-sulfanylidene-λ4-sulfane (CID 134557189) is methyl-(3-methyl-4-pyridin-2-yloxypyrrolidin-1-yl)-sulfanylidene-λ4-sulfane.
What is the SMILES notation for methyl-(3-methyl-4-pyridin-2-yloxypyrrolidin-1-yl)-sulfanylidene-λ4-sulfane?
The canonical SMILES for methyl-(3-methyl-4-pyridin-2-yloxypyrrolidin-1-yl)-sulfanylidene-λ4-sulfane is CC1CN(S(C)=S)CC1Oc1ccccn1.
What is the InChIKey of methyl-(3-methyl-4-pyridin-2-yloxypyrrolidin-1-yl)-sulfanylidene-λ4-sulfane?
The InChIKey is USMKTLBSKFDGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS2/c1-9-7-13(16(2)15)8-10(9)14-11-5-3-4-6-12-11/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of methyl-(3-methyl-4-pyridin-2-yloxypyrrolidin-1-yl)-sulfanylidene-λ4-sulfane?
methyl-(3-methyl-4-pyridin-2-yloxypyrrolidin-1-yl)-sulfanylidene-λ4-sulfane has a molecular weight of 256.40 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(3-methyl-4-pyridin-2-yloxypyrrolidin-1-yl)-sulfanylidene-λ4-sulfane is sourced from PubChem (CID 134557189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).