N-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide

C7H8N6OS — CID 79194698

IUPACN-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
SMILESN#CNC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C7H8N6OS/c8-4-9-6(14)3-15-7-10-11-12-13(7)5-1-2-5/h5H,1-3H2,(H,9,14)
InChIKeyONNGUYFOKDTFFU-UHFFFAOYSA-N
MW224.25 g/mol
LogP-0.30
Rot. Bonds4

About N-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide

N-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide (PubChem CID 79194698) has the molecular formula C7H8N6OS and a molecular weight of 224.25 g/mol. Its IUPAC name is N-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
PubChem CID79194698
Molecular FormulaC7H8N6OS
Molecular Weight224.25 g/mol
Exact Mass224.05
IUPAC NameN-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
SMILESN#CNC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C7H8N6OS/c8-4-9-6(14)3-15-7-10-11-12-13(7)5-1-2-5/h5H,1-3H2,(H,9,14)
InChIKeyONNGUYFOKDTFFU-UHFFFAOYSA-N
XLogP-0.30
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide
CID 30907405
N-cyclohexyl-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 51244959
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxypropyl)acetamide
CID 43417587
2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]oxyacetamide
CID 112550936
N-cyclopentyl-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 1383738
N-(2-chloroprop-2-enyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 115636705
N-(1-cyanocyclohexyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 27094340
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methylbutyl)acetamide
CID 27096193
(2S)-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3,3-dimethylbutanoic acid
CID 61145200
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
1-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,3-dimethylbutan-2-one
CID 43231239

Frequently Asked Questions

What is the IUPAC name of N-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide (CID 79194698) is N-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide is N#CNC(=O)CSc1nnnn1C1CC1.
What is the InChIKey of N-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is ONNGUYFOKDTFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6OS/c8-4-9-6(14)3-15-7-10-11-12-13(7)5-1-2-5/h5H,1-3H2,(H,9,14).
What are the key properties of N-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
N-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 224.25 g/mol, XLogP of -0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 79194698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).