2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]ethyl]acetamide

C10H16N10O2S2 — CID 16525284

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]ethyl]acetamide
SMILESCn1nnnc1SCC(=O)NCCNC(=O)CSc1nnnn1C
InChIInChI=1S/C10H16N10O2S2/c1-19-9(13-15-17-19)23-5-7(21)11-3-4-12-8(22)6-24-10-14-16-18-20(10)2/h3-6H2,1-2H3,(H,11,21)(H,12,22)
InChIKeyAJRFOQWLGPJUBH-UHFFFAOYSA-N
MW372.44 g/mol
LogP-2.15
Rot. Bonds9

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]ethyl]acetamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]ethyl]acetamide (PubChem CID 16525284) has the molecular formula C10H16N10O2S2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]ethyl]acetamide
PubChem CID16525284
Molecular FormulaC10H16N10O2S2
Molecular Weight372.44 g/mol
Exact Mass372.09
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]ethyl]acetamide
SMILESCn1nnnc1SCC(=O)NCCNC(=O)CSc1nnnn1C
InChIInChI=1S/C10H16N10O2S2/c1-19-9(13-15-17-19)23-5-7(21)11-3-4-12-8(22)6-24-10-14-16-18-20(10)2/h3-6H2,1-2H3,(H,11,21)(H,12,22)
InChIKeyAJRFOQWLGPJUBH-UHFFFAOYSA-N
XLogP-2.15
TPSA145.40 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.44
LogP ≤ 5-2.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]ethyl]acetamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]ethyl]acetamide (CID 16525284) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]ethyl]acetamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]ethyl]acetamide is Cn1nnnc1SCC(=O)NCCNC(=O)CSc1nnnn1C.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]ethyl]acetamide?
The InChIKey is AJRFOQWLGPJUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N10O2S2/c1-19-9(13-15-17-19)23-5-7(21)11-3-4-12-8(22)6-24-10-14-16-18-20(10)2/h3-6H2,1-2H3,(H,11,21)(H,12,22).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]ethyl]acetamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]ethyl]acetamide has a molecular weight of 372.44 g/mol, XLogP of -2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]ethyl]acetamide is sourced from PubChem (CID 16525284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).