N-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide

C5H9N5OS — CID 13298510

IUPACN-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide
SMILESCC(=O)NCCn1[nH]nnc1=S
InChIInChI=1S/C5H9N5OS/c1-4(11)6-2-3-10-5(12)7-8-9-10/h2-3H2,1H3,(H,6,11)(H,7,9,12)
InChIKeyIDOICNVNTGFRHG-UHFFFAOYSA-N
MW187.23 g/mol
LogP-0.53
Rot. Bonds3

About N-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide

N-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide (PubChem CID 13298510) has the molecular formula C5H9N5OS and a molecular weight of 187.23 g/mol. Its IUPAC name is N-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide
PubChem CID13298510
Molecular FormulaC5H9N5OS
Molecular Weight187.23 g/mol
Exact Mass187.05
IUPAC NameN-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide
SMILESCC(=O)NCCn1[nH]nnc1=S
InChIInChI=1S/C5H9N5OS/c1-4(11)6-2-3-10-5(12)7-8-9-10/h2-3H2,1H3,(H,6,11)(H,7,9,12)
InChIKeyIDOICNVNTGFRHG-UHFFFAOYSA-N
XLogP-0.53
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
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 N-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide (CID 13298510) is N-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide is CC(=O)NCCn1[nH]nnc1=S.
What is the InChIKey of N-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide?
The InChIKey is IDOICNVNTGFRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5OS/c1-4(11)6-2-3-10-5(12)7-8-9-10/h2-3H2,1H3,(H,6,11)(H,7,9,12).
What are the key properties of N-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide?
N-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide has a molecular weight of 187.23 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 13298510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).