2-(1-methyltetrazol-5-yl)sulfanyl-N-(1-oxaspiro[4.5]decan-3-yl)acetamide

C13H21N5O2S — CID 45197507

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-(1-oxaspiro[4.5]decan-3-yl)acetamide
SMILESCn1nnnc1SCC(=O)NC1COC2(CCCCC2)C1
InChIInChI=1S/C13H21N5O2S/c1-18-12(15-16-17-18)21-9-11(19)14-10-7-13(20-8-10)5-3-2-4-6-13/h10H,2-9H2,1H3,(H,14,19)
InChIKeyBUWLGZGHFCHSFL-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.91
Rot. Bonds4

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1-oxaspiro[4.5]decan-3-yl)acetamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-(1-oxaspiro[4.5]decan-3-yl)acetamide (PubChem CID 45197507) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1-oxaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(1-oxaspiro[4.5]decan-3-yl)acetamide
PubChem CID45197507
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(1-oxaspiro[4.5]decan-3-yl)acetamide
SMILESCn1nnnc1SCC(=O)NC1COC2(CCCCC2)C1
InChIInChI=1S/C13H21N5O2S/c1-18-12(15-16-17-18)21-9-11(19)14-10-7-13(20-8-10)5-3-2-4-6-13/h10H,2-9H2,1H3,(H,14,19)
InChIKeyBUWLGZGHFCHSFL-UHFFFAOYSA-N
XLogP0.91
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1-oxaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1-oxaspiro[4.5]decan-3-yl)acetamide (CID 45197507) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1-oxaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1-oxaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1-oxaspiro[4.5]decan-3-yl)acetamide is Cn1nnnc1SCC(=O)NC1COC2(CCCCC2)C1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1-oxaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is BUWLGZGHFCHSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-18-12(15-16-17-18)21-9-11(19)14-10-7-13(20-8-10)5-3-2-4-6-13/h10H,2-9H2,1H3,(H,14,19).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1-oxaspiro[4.5]decan-3-yl)acetamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-(1-oxaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 311.41 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1-oxaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 45197507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).