1,10-bis(2-sulfanylidenepyrrolidin-1-yl)decane-1,10-dione

C18H28N2O2S2 — CID 3089046

IUPAC1,10-bis(2-sulfanylidenepyrrolidin-1-yl)decane-1,10-dione
SMILESO=C(CCCCCCCCC(=O)N1CCCC1=S)N1CCCC1=S
InChIInChI=1S/C18H28N2O2S2/c21-15(19-13-7-11-17(19)23)9-5-3-1-2-4-6-10-16(22)20-14-8-12-18(20)24/h1-14H2
InChIKeyHSVQBHFIKREOIV-UHFFFAOYSA-N
MW368.57 g/mol
LogP4.01
Rot. Bonds9

About 1,10-bis(2-sulfanylidenepyrrolidin-1-yl)decane-1,10-dione

1,10-bis(2-sulfanylidenepyrrolidin-1-yl)decane-1,10-dione (PubChem CID 3089046) has the molecular formula C18H28N2O2S2 and a molecular weight of 368.57 g/mol. Its IUPAC name is 1,10-bis(2-sulfanylidenepyrrolidin-1-yl)decane-1,10-dione.

Molecular Properties

Compound Name1,10-bis(2-sulfanylidenepyrrolidin-1-yl)decane-1,10-dione
PubChem CID3089046
Molecular FormulaC18H28N2O2S2
Molecular Weight368.57 g/mol
Exact Mass368.16
IUPAC Name1,10-bis(2-sulfanylidenepyrrolidin-1-yl)decane-1,10-dione
SMILESO=C(CCCCCCCCC(=O)N1CCCC1=S)N1CCCC1=S
InChIInChI=1S/C18H28N2O2S2/c21-15(19-13-7-11-17(19)23)9-5-3-1-2-4-6-10-16(22)20-14-8-12-18(20)24/h1-14H2
InChIKeyHSVQBHFIKREOIV-UHFFFAOYSA-N
XLogP4.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,10-bis(2-sulfanylidenepyrrolidin-1-yl)decane-1,10-dione?
The IUPAC name of 1,10-bis(2-sulfanylidenepyrrolidin-1-yl)decane-1,10-dione (CID 3089046) is 1,10-bis(2-sulfanylidenepyrrolidin-1-yl)decane-1,10-dione.
What is the SMILES notation for 1,10-bis(2-sulfanylidenepyrrolidin-1-yl)decane-1,10-dione?
The canonical SMILES for 1,10-bis(2-sulfanylidenepyrrolidin-1-yl)decane-1,10-dione is O=C(CCCCCCCCC(=O)N1CCCC1=S)N1CCCC1=S.
What is the InChIKey of 1,10-bis(2-sulfanylidenepyrrolidin-1-yl)decane-1,10-dione?
The InChIKey is HSVQBHFIKREOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S2/c21-15(19-13-7-11-17(19)23)9-5-3-1-2-4-6-10-16(22)20-14-8-12-18(20)24/h1-14H2.
What are the key properties of 1,10-bis(2-sulfanylidenepyrrolidin-1-yl)decane-1,10-dione?
1,10-bis(2-sulfanylidenepyrrolidin-1-yl)decane-1,10-dione has a molecular weight of 368.57 g/mol, XLogP of 4.01, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-bis(2-sulfanylidenepyrrolidin-1-yl)decane-1,10-dione is sourced from PubChem (CID 3089046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).