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

C11H19N5OS — CID 4814617

IUPACN-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)NCC1CCCCC1
InChIInChI=1S/C11H19N5OS/c1-16-11(13-14-15-16)18-8-10(17)12-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,12,17)
InChIKeyCDGGIYPLMXMVTQ-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.00
Rot. Bonds5

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

N-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 4814617) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID4814617
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC NameN-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)NCC1CCCCC1
InChIInChI=1S/C11H19N5OS/c1-16-11(13-14-15-16)18-8-10(17)12-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,12,17)
InChIKeyCDGGIYPLMXMVTQ-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 4814617) is N-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is CDGGIYPLMXMVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-16-11(13-14-15-16)18-8-10(17)12-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,12,17).
What are the key properties of N-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 269.37 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 4814617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).