N-(furan-2-ylmethyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide

C11H15N5O2S — CID 654333

IUPACN-(furan-2-ylmethyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)n1nnnc1SCC(=O)NCc1ccco1
InChIInChI=1S/C11H15N5O2S/c1-8(2)16-11(13-14-15-16)19-7-10(17)12-6-9-4-3-5-18-9/h3-5,8H,6-7H2,1-2H3,(H,12,17)
InChIKeyXSYUHHFZJKNRPL-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.26
Rot. Bonds6

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

N-(furan-2-ylmethyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide (PubChem CID 654333) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
PubChem CID654333
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC NameN-(furan-2-ylmethyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)n1nnnc1SCC(=O)NCc1ccco1
InChIInChI=1S/C11H15N5O2S/c1-8(2)16-11(13-14-15-16)19-7-10(17)12-6-9-4-3-5-18-9/h3-5,8H,6-7H2,1-2H3,(H,12,17)
InChIKeyXSYUHHFZJKNRPL-UHFFFAOYSA-N
XLogP1.26
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.26
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-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide (CID 654333) is N-(furan-2-ylmethyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide is CC(C)n1nnnc1SCC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The InChIKey is XSYUHHFZJKNRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-8(2)16-11(13-14-15-16)19-7-10(17)12-6-9-4-3-5-18-9/h3-5,8H,6-7H2,1-2H3,(H,12,17).
What are the key properties of N-(furan-2-ylmethyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
N-(furan-2-ylmethyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide has a molecular weight of 281.34 g/mol, XLogP of 1.26, 6 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-propan-2-yltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 654333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).