3-[(1-ethyltetrazol-5-yl)methylsulfanyl]-N-methylpropanamide

C8H15N5OS — CID 13208279

IUPAC3-[(1-ethyltetrazol-5-yl)methylsulfanyl]-N-methylpropanamide
SMILESCCn1nnnc1CSCCC(=O)NC
InChIInChI=1S/C8H15N5OS/c1-3-13-7(10-11-12-13)6-15-5-4-8(14)9-2/h3-6H2,1-2H3,(H,9,14)
InChIKeyQSAXIAAHBFYPLX-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.06
Rot. Bonds6

About 3-[(1-ethyltetrazol-5-yl)methylsulfanyl]-N-methylpropanamide

3-[(1-ethyltetrazol-5-yl)methylsulfanyl]-N-methylpropanamide (PubChem CID 13208279) has the molecular formula C8H15N5OS and a molecular weight of 229.31 g/mol. Its IUPAC name is 3-[(1-ethyltetrazol-5-yl)methylsulfanyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(1-ethyltetrazol-5-yl)methylsulfanyl]-N-methylpropanamide
PubChem CID13208279
Molecular FormulaC8H15N5OS
Molecular Weight229.31 g/mol
Exact Mass229.10
IUPAC Name3-[(1-ethyltetrazol-5-yl)methylsulfanyl]-N-methylpropanamide
SMILESCCn1nnnc1CSCCC(=O)NC
InChIInChI=1S/C8H15N5OS/c1-3-13-7(10-11-12-13)6-15-5-4-8(14)9-2/h3-6H2,1-2H3,(H,9,14)
InChIKeyQSAXIAAHBFYPLX-UHFFFAOYSA-N
XLogP0.06
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 3-[(1-ethyltetrazol-5-yl)methylsulfanyl]-N-methylpropanamide?
The IUPAC name of 3-[(1-ethyltetrazol-5-yl)methylsulfanyl]-N-methylpropanamide (CID 13208279) is 3-[(1-ethyltetrazol-5-yl)methylsulfanyl]-N-methylpropanamide.
What is the SMILES notation for 3-[(1-ethyltetrazol-5-yl)methylsulfanyl]-N-methylpropanamide?
The canonical SMILES for 3-[(1-ethyltetrazol-5-yl)methylsulfanyl]-N-methylpropanamide is CCn1nnnc1CSCCC(=O)NC.
What is the InChIKey of 3-[(1-ethyltetrazol-5-yl)methylsulfanyl]-N-methylpropanamide?
The InChIKey is QSAXIAAHBFYPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5OS/c1-3-13-7(10-11-12-13)6-15-5-4-8(14)9-2/h3-6H2,1-2H3,(H,9,14).
What are the key properties of 3-[(1-ethyltetrazol-5-yl)methylsulfanyl]-N-methylpropanamide?
3-[(1-ethyltetrazol-5-yl)methylsulfanyl]-N-methylpropanamide has a molecular weight of 229.31 g/mol, XLogP of 0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethyltetrazol-5-yl)methylsulfanyl]-N-methylpropanamide is sourced from PubChem (CID 13208279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).