2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide

C14H19N7O2S — CID 90633186

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
SMILESCn1nnnc1SCC(=O)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C14H19N7O2S/c1-21-14(18-19-20-21)24-9-12(22)17-10-3-5-11(6-4-10)23-13-15-7-2-8-16-13/h2,7-8,10-11H,3-6,9H2,1H3,(H,17,22)
InChIKeyVLXATXIARNLBDL-UHFFFAOYSA-N
MW349.42 g/mol
LogP0.60
Rot. Bonds6

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide (PubChem CID 90633186) has the molecular formula C14H19N7O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
PubChem CID90633186
Molecular FormulaC14H19N7O2S
Molecular Weight349.42 g/mol
Exact Mass349.13
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
SMILESCn1nnnc1SCC(=O)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C14H19N7O2S/c1-21-14(18-19-20-21)24-9-12(22)17-10-3-5-11(6-4-10)23-13-15-7-2-8-16-13/h2,7-8,10-11H,3-6,9H2,1H3,(H,17,22)
InChIKeyVLXATXIARNLBDL-UHFFFAOYSA-N
XLogP0.60
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-pyridin-4-ylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633440
N-(1-benzylpiperidin-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8594554
2-(1-methyltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylacetamide
CID 1301816
2-[methyl(methylsulfonyl)amino]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626284
2-ethylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633335
1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633499
N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8594426
2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626255
N-cyclopentyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 1452223
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-cyclooctylacetamide
CID 27045923
N-cyclopentyl-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 1383738
N-(4-pyrimidin-2-yloxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 90633413

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide (CID 90633186) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide is Cn1nnnc1SCC(=O)NC1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
The InChIKey is VLXATXIARNLBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O2S/c1-21-14(18-19-20-21)24-9-12(22)17-10-3-5-11(6-4-10)23-13-15-7-2-8-16-13/h2,7-8,10-11H,3-6,9H2,1H3,(H,17,22).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide has a molecular weight of 349.42 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide is sourced from PubChem (CID 90633186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).