2-(1-butyltetrazol-5-yl)sulfanyl-N-cyclohexylacetamide

C13H23N5OS — CID 3212939

IUPAC2-(1-butyltetrazol-5-yl)sulfanyl-N-cyclohexylacetamide
SMILESCCCCn1nnnc1SCC(=O)NC1CCCCC1
InChIInChI=1S/C13H23N5OS/c1-2-3-9-18-13(15-16-17-18)20-10-12(19)14-11-7-5-4-6-8-11/h11H,2-10H2,1H3,(H,14,19)
InChIKeyNGORNEGKIPHFMR-UHFFFAOYSA-N
MW297.43 g/mol
LogP2.01
Rot. Bonds7

About 2-(1-butyltetrazol-5-yl)sulfanyl-N-cyclohexylacetamide

2-(1-butyltetrazol-5-yl)sulfanyl-N-cyclohexylacetamide (PubChem CID 3212939) has the molecular formula C13H23N5OS and a molecular weight of 297.43 g/mol. Its IUPAC name is 2-(1-butyltetrazol-5-yl)sulfanyl-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(1-butyltetrazol-5-yl)sulfanyl-N-cyclohexylacetamide
PubChem CID3212939
Molecular FormulaC13H23N5OS
Molecular Weight297.43 g/mol
Exact Mass297.16
IUPAC Name2-(1-butyltetrazol-5-yl)sulfanyl-N-cyclohexylacetamide
SMILESCCCCn1nnnc1SCC(=O)NC1CCCCC1
InChIInChI=1S/C13H23N5OS/c1-2-3-9-18-13(15-16-17-18)20-10-12(19)14-11-7-5-4-6-8-11/h11H,2-10H2,1H3,(H,14,19)
InChIKeyNGORNEGKIPHFMR-UHFFFAOYSA-N
XLogP2.01
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1-butyltetrazol-5-yl)sulfanyl-N-cyclohexylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-butyltetrazol-5-yl)sulfanyl-N-cyclohexylacetamide?
The IUPAC name of 2-(1-butyltetrazol-5-yl)sulfanyl-N-cyclohexylacetamide (CID 3212939) is 2-(1-butyltetrazol-5-yl)sulfanyl-N-cyclohexylacetamide.
What is the SMILES notation for 2-(1-butyltetrazol-5-yl)sulfanyl-N-cyclohexylacetamide?
The canonical SMILES for 2-(1-butyltetrazol-5-yl)sulfanyl-N-cyclohexylacetamide is CCCCn1nnnc1SCC(=O)NC1CCCCC1.
What is the InChIKey of 2-(1-butyltetrazol-5-yl)sulfanyl-N-cyclohexylacetamide?
The InChIKey is NGORNEGKIPHFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS/c1-2-3-9-18-13(15-16-17-18)20-10-12(19)14-11-7-5-4-6-8-11/h11H,2-10H2,1H3,(H,14,19).
What are the key properties of 2-(1-butyltetrazol-5-yl)sulfanyl-N-cyclohexylacetamide?
2-(1-butyltetrazol-5-yl)sulfanyl-N-cyclohexylacetamide has a molecular weight of 297.43 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyltetrazol-5-yl)sulfanyl-N-cyclohexylacetamide is sourced from PubChem (CID 3212939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).