1-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylethanone

C10H16N4OS — CID 115576378

IUPAC1-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylethanone
SMILESCn1nnnc1SCC(=O)C1CCCCC1
InChIInChI=1S/C10H16N4OS/c1-14-10(11-12-13-14)16-7-9(15)8-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKeyBLTALSGLHXVFNI-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.45
Rot. Bonds4

About 1-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylethanone

1-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylethanone (PubChem CID 115576378) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylethanone
PubChem CID115576378
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name1-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylethanone
SMILESCn1nnnc1SCC(=O)C1CCCCC1
InChIInChI=1S/C10H16N4OS/c1-14-10(11-12-13-14)16-7-9(15)8-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKeyBLTALSGLHXVFNI-UHFFFAOYSA-N
XLogP1.45
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylethanone (CID 115576378) is 1-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylethanone is Cn1nnnc1SCC(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The InChIKey is BLTALSGLHXVFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-14-10(11-12-13-14)16-7-9(15)8-5-3-2-4-6-8/h8H,2-7H2,1H3.
What are the key properties of 1-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylethanone?
1-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylethanone has a molecular weight of 240.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 115576378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).