N-cyclopentyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide

C11H19N5OS — CID 1452344

IUPACN-cyclopentyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)n1nnnc1SCC(=O)NC1CCCC1
InChIInChI=1S/C11H19N5OS/c1-8(2)16-11(13-14-15-16)18-7-10(17)12-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,12,17)
InChIKeyIJAAKGQWQJTVFF-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.40
Rot. Bonds5

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

N-cyclopentyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide (PubChem CID 1452344) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is N-cyclopentyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
PubChem CID1452344
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC NameN-cyclopentyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)n1nnnc1SCC(=O)NC1CCCC1
InChIInChI=1S/C11H19N5OS/c1-8(2)16-11(13-14-15-16)18-7-10(17)12-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,12,17)
InChIKeyIJAAKGQWQJTVFF-UHFFFAOYSA-N
XLogP1.40
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide (CID 1452344) is N-cyclopentyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide is CC(C)n1nnnc1SCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The InChIKey is IJAAKGQWQJTVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-8(2)16-11(13-14-15-16)18-7-10(17)12-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,12,17).
What are the key properties of N-cyclopentyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
N-cyclopentyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide has a molecular weight of 269.37 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 1452344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).