N-cyclopropyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide

C15H19N5OS — CID 7713598

IUPACN-cyclopropyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(C)c1ccc(-n2nnnc2SCC(=O)NC2CC2)cc1
InChIInChI=1S/C15H19N5OS/c1-10(2)11-3-7-13(8-4-11)20-15(17-18-19-20)22-9-14(21)16-12-5-6-12/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H,16,21)
InChIKeyPMLQPRKUGFHWEM-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.16
Rot. Bonds6

About N-cyclopropyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide

N-cyclopropyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 7713598) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID7713598
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC NameN-cyclopropyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(C)c1ccc(-n2nnnc2SCC(=O)NC2CC2)cc1
InChIInChI=1S/C15H19N5OS/c1-10(2)11-3-7-13(8-4-11)20-15(17-18-19-20)22-9-14(21)16-12-5-6-12/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H,16,21)
InChIKeyPMLQPRKUGFHWEM-UHFFFAOYSA-N
XLogP2.16
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 7713598) is N-cyclopropyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide is CC(C)c1ccc(-n2nnnc2SCC(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is PMLQPRKUGFHWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-10(2)11-3-7-13(8-4-11)20-15(17-18-19-20)22-9-14(21)16-12-5-6-12/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H,16,21).
What are the key properties of N-cyclopropyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-cyclopropyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 317.42 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 7713598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).