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

C5H9N5OS — CID 18935452

IUPACN-[1-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide
SMILESCC(=O)NC(C)n1[nH]nnc1=S
InChIInChI=1S/C5H9N5OS/c1-3(6-4(2)11)10-5(12)7-8-9-10/h3H,1-2H3,(H,6,11)(H,7,9,12)
InChIKeyYKASZWVGQRFMTG-UHFFFAOYSA-N
MW187.23 g/mol
LogP-0.01
Rot. Bonds2

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

N-[1-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide (PubChem CID 18935452) has the molecular formula C5H9N5OS and a molecular weight of 187.23 g/mol. Its IUPAC name is N-[1-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide
PubChem CID18935452
Molecular FormulaC5H9N5OS
Molecular Weight187.23 g/mol
Exact Mass187.05
IUPAC NameN-[1-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide
SMILESCC(=O)NC(C)n1[nH]nnc1=S
InChIInChI=1S/C5H9N5OS/c1-3(6-4(2)11)10-5(12)7-8-9-10/h3H,1-2H3,(H,6,11)(H,7,9,12)
InChIKeyYKASZWVGQRFMTG-UHFFFAOYSA-N
XLogP-0.01
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 5-0.01
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-[1-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide?
The IUPAC name of N-[1-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide (CID 18935452) is N-[1-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[1-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide?
The canonical SMILES for N-[1-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide is CC(=O)NC(C)n1[nH]nnc1=S.
What is the InChIKey of N-[1-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide?
The InChIKey is YKASZWVGQRFMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5OS/c1-3(6-4(2)11)10-5(12)7-8-9-10/h3H,1-2H3,(H,6,11)(H,7,9,12).
What are the key properties of N-[1-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide?
N-[1-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide has a molecular weight of 187.23 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 18935452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).