1-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]pyrrolidin-2-one

C8H13N5OS — CID 170761875

IUPAC1-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCn1[nH]nnc1=S
InChIInChI=1S/C8H13N5OS/c14-7-3-1-4-12(7)5-2-6-13-8(15)9-10-11-13/h1-6H2,(H,9,11,15)
InChIKeySNNMAGMCXHNOCG-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.35
Rot. Bonds4

About 1-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]pyrrolidin-2-one

1-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]pyrrolidin-2-one (PubChem CID 170761875) has the molecular formula C8H13N5OS and a molecular weight of 227.29 g/mol. Its IUPAC name is 1-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]pyrrolidin-2-one
PubChem CID170761875
Molecular FormulaC8H13N5OS
Molecular Weight227.29 g/mol
Exact Mass227.08
IUPAC Name1-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCn1[nH]nnc1=S
InChIInChI=1S/C8H13N5OS/c14-7-3-1-4-12(7)5-2-6-13-8(15)9-10-11-13/h1-6H2,(H,9,11,15)
InChIKeySNNMAGMCXHNOCG-UHFFFAOYSA-N
XLogP0.35
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]pyrrolidin-2-one (CID 170761875) is 1-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]pyrrolidin-2-one is O=C1CCCN1CCCn1[nH]nnc1=S.
What is the InChIKey of 1-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]pyrrolidin-2-one?
The InChIKey is SNNMAGMCXHNOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5OS/c14-7-3-1-4-12(7)5-2-6-13-8(15)9-10-11-13/h1-6H2,(H,9,11,15).
What are the key properties of 1-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]pyrrolidin-2-one?
1-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]pyrrolidin-2-one has a molecular weight of 227.29 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 170761875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).