2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide

C7H11N5O2S — CID 30907405

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide
SMILESCONC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C7H11N5O2S/c1-14-9-6(13)4-15-7-8-10-11-12(7)5-2-3-5/h5H,2-4H2,1H3,(H,9,13)
InChIKeyFNJLFNKXVCCCBP-UHFFFAOYSA-N
MW229.26 g/mol
LogP-0.22
Rot. Bonds5

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide (PubChem CID 30907405) has the molecular formula C7H11N5O2S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide
PubChem CID30907405
Molecular FormulaC7H11N5O2S
Molecular Weight229.26 g/mol
Exact Mass229.06
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide
SMILESCONC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C7H11N5O2S/c1-14-9-6(13)4-15-7-8-10-11-12(7)5-2-3-5/h5H,2-4H2,1H3,(H,9,13)
InChIKeyFNJLFNKXVCCCBP-UHFFFAOYSA-N
XLogP-0.22
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]oxyacetamide
CID 112550936
methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoate
CID 43422824
N-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 79194698
3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methoxypropanoic acid
CID 106107842
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 27096512
ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-oxobutanoate
CID 60693268
N-cyclohexyl-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 51244959
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methylbutyl)acetamide
CID 27096193
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxypropyl)acetamide
CID 43417587
1-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,3-dimethylbutan-2-one
CID 43231239
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxy-2-methylbutan-2-yl)acetamide
CID 115884717
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62516881

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide (CID 30907405) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide is CONC(=O)CSc1nnnn1C1CC1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide?
The InChIKey is FNJLFNKXVCCCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2S/c1-14-9-6(13)4-15-7-8-10-11-12(7)5-2-3-5/h5H,2-4H2,1H3,(H,9,13).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide has a molecular weight of 229.26 g/mol, XLogP of -0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide is sourced from PubChem (CID 30907405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).