N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C11H13N5OS — CID 774828

IUPACN-benzyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)NCc1ccccc1
InChIInChI=1S/C11H13N5OS/c1-16-11(13-14-15-16)18-8-10(17)12-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,17)
InChIKeyFCYAQSCXPNHRNJ-UHFFFAOYSA-N
MW263.33 g/mol
LogP0.62
Rot. Bonds5

About N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 774828) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID774828
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC NameN-benzyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)NCc1ccccc1
InChIInChI=1S/C11H13N5OS/c1-16-11(13-14-15-16)18-8-10(17)12-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,17)
InChIKeyFCYAQSCXPNHRNJ-UHFFFAOYSA-N
XLogP0.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 774828) is N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is FCYAQSCXPNHRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-16-11(13-14-15-16)18-8-10(17)12-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,17).
What are the key properties of N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 263.33 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 774828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).