N-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C11H18N6O2S — CID 2634435

IUPACN-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C11H18N6O2S/c1-17-11(14-15-16-17)20-7-9(18)13-10(19)12-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,12,13,18,19)
InChIKeyFRGUILLITNTKOE-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.46
Rot. Bonds4

About N-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 2634435) has the molecular formula C11H18N6O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID2634435
Molecular FormulaC11H18N6O2S
Molecular Weight298.37 g/mol
Exact Mass298.12
IUPAC NameN-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C11H18N6O2S/c1-17-11(14-15-16-17)20-7-9(18)13-10(19)12-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,12,13,18,19)
InChIKeyFRGUILLITNTKOE-UHFFFAOYSA-N
XLogP0.46
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 2634435) is N-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is FRGUILLITNTKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S/c1-17-11(14-15-16-17)20-7-9(18)13-10(19)12-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,12,13,18,19).
What are the key properties of N-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 298.37 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 2634435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).