1-methyl-5-[(1-methyl-2,3-dihydropyrrol-5-yl)disulfanyl]-2,3-dihydropyrrole

C10H16N2S2 — CID 101072422

IUPAC1-methyl-5-[(1-methyl-2,3-dihydropyrrol-5-yl)disulfanyl]-2,3-dihydropyrrole
SMILESCN1CCC=C1SSC1=CCCN1C
InChIInChI=1S/C10H16N2S2/c1-11-7-3-5-9(11)13-14-10-6-4-8-12(10)2/h5-6H,3-4,7-8H2,1-2H3
InChIKeyUYPMIPADNWIMAO-UHFFFAOYSA-N
MW228.39 g/mol
LogP2.72
Rot. Bonds3

About 1-methyl-5-[(1-methyl-2,3-dihydropyrrol-5-yl)disulfanyl]-2,3-dihydropyrrole

1-methyl-5-[(1-methyl-2,3-dihydropyrrol-5-yl)disulfanyl]-2,3-dihydropyrrole (PubChem CID 101072422) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is 1-methyl-5-[(1-methyl-2,3-dihydropyrrol-5-yl)disulfanyl]-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-methyl-5-[(1-methyl-2,3-dihydropyrrol-5-yl)disulfanyl]-2,3-dihydropyrrole
PubChem CID101072422
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC Name1-methyl-5-[(1-methyl-2,3-dihydropyrrol-5-yl)disulfanyl]-2,3-dihydropyrrole
SMILESCN1CCC=C1SSC1=CCCN1C
InChIInChI=1S/C10H16N2S2/c1-11-7-3-5-9(11)13-14-10-6-4-8-12(10)2/h5-6H,3-4,7-8H2,1-2H3
InChIKeyUYPMIPADNWIMAO-UHFFFAOYSA-N
XLogP2.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(1-methyl-2,3-dihydropyrrol-5-yl)disulfanyl]-2,3-dihydropyrrole?
The IUPAC name of 1-methyl-5-[(1-methyl-2,3-dihydropyrrol-5-yl)disulfanyl]-2,3-dihydropyrrole (CID 101072422) is 1-methyl-5-[(1-methyl-2,3-dihydropyrrol-5-yl)disulfanyl]-2,3-dihydropyrrole.
What is the SMILES notation for 1-methyl-5-[(1-methyl-2,3-dihydropyrrol-5-yl)disulfanyl]-2,3-dihydropyrrole?
The canonical SMILES for 1-methyl-5-[(1-methyl-2,3-dihydropyrrol-5-yl)disulfanyl]-2,3-dihydropyrrole is CN1CCC=C1SSC1=CCCN1C.
What is the InChIKey of 1-methyl-5-[(1-methyl-2,3-dihydropyrrol-5-yl)disulfanyl]-2,3-dihydropyrrole?
The InChIKey is UYPMIPADNWIMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S2/c1-11-7-3-5-9(11)13-14-10-6-4-8-12(10)2/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 1-methyl-5-[(1-methyl-2,3-dihydropyrrol-5-yl)disulfanyl]-2,3-dihydropyrrole?
1-methyl-5-[(1-methyl-2,3-dihydropyrrol-5-yl)disulfanyl]-2,3-dihydropyrrole has a molecular weight of 228.39 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(1-methyl-2,3-dihydropyrrol-5-yl)disulfanyl]-2,3-dihydropyrrole is sourced from PubChem (CID 101072422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).