N-(furan-2-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C9H11N5O2S — CID 655043

IUPACN-(furan-2-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)NCc1ccco1
InChIInChI=1S/C9H11N5O2S/c1-14-9(11-12-13-14)17-6-8(15)10-5-7-3-2-4-16-7/h2-4H,5-6H2,1H3,(H,10,15)
InChIKeyLYQLJCRNAOFUAS-UHFFFAOYSA-N
MW253.29 g/mol
LogP0.21
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(furan-2-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 655043) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID655043
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC NameN-(furan-2-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)NCc1ccco1
InChIInChI=1S/C9H11N5O2S/c1-14-9(11-12-13-14)17-6-8(15)10-5-7-3-2-4-16-7/h2-4H,5-6H2,1H3,(H,10,15)
InChIKeyLYQLJCRNAOFUAS-UHFFFAOYSA-N
XLogP0.21
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 655043) is N-(furan-2-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is LYQLJCRNAOFUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-14-9(11-12-13-14)17-6-8(15)10-5-7-3-2-4-16-7/h2-4H,5-6H2,1H3,(H,10,15).
What are the key properties of N-(furan-2-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(furan-2-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 253.29 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 655043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).