N-(2-cyanoethyl)-N-methyl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide

C10H14N6OS — CID 60564224

IUPACN-(2-cyanoethyl)-N-methyl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide
SMILESC=CCn1nnnc1SCC(=O)N(C)CCC#N
InChIInChI=1S/C10H14N6OS/c1-3-6-16-10(12-13-14-16)18-8-9(17)15(2)7-4-5-11/h3H,1,4,6-8H2,2H3
InChIKeyFIKGESALUVODRR-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.32
Rot. Bonds7

About N-(2-cyanoethyl)-N-methyl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide

N-(2-cyanoethyl)-N-methyl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide (PubChem CID 60564224) has the molecular formula C10H14N6OS and a molecular weight of 266.33 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide
PubChem CID60564224
Molecular FormulaC10H14N6OS
Molecular Weight266.33 g/mol
Exact Mass266.09
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide
SMILESC=CCn1nnnc1SCC(=O)N(C)CCC#N
InChIInChI=1S/C10H14N6OS/c1-3-6-16-10(12-13-14-16)18-8-9(17)15(2)7-4-5-11/h3H,1,4,6-8H2,2H3
InChIKeyFIKGESALUVODRR-UHFFFAOYSA-N
XLogP0.32
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(2-cyanoethyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
CID 36795284
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide
CID 60564017
N-(2-cyanoethyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 7674233
N-(2-cyanoethyl)-2-[[5-[(4-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 7875261
1-(4-butan-2-ylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylethanone
CID 60563837
2-[[5-(aminomethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-methylacetamide
CID 63314949
N-ethyl-N-[(3-fluorophenyl)methyl]-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide
CID 60563776
N-(2-cyanoethyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 7625453
2-(1-prop-2-enyltetrazol-5-yl)sulfanyl-1-(4-propylphenyl)ethanone
CID 60563802
N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7168672
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
N,N-di(propan-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide
CID 652193

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide (CID 60564224) is N-(2-cyanoethyl)-N-methyl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide is C=CCn1nnnc1SCC(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is FIKGESALUVODRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6OS/c1-3-6-16-10(12-13-14-16)18-8-9(17)15(2)7-4-5-11/h3H,1,4,6-8H2,2H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide?
N-(2-cyanoethyl)-N-methyl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 266.33 g/mol, XLogP of 0.32, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 60564224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).