N-benzyl-2-(1-propyltetrazol-5-yl)sulfanylacetamide

C13H17N5OS — CID 649791

IUPACN-benzyl-2-(1-propyltetrazol-5-yl)sulfanylacetamide
SMILESCCCn1nnnc1SCC(=O)NCc1ccccc1
InChIInChI=1S/C13H17N5OS/c1-2-8-18-13(15-16-17-18)20-10-12(19)14-9-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,19)
InChIKeyHPJSMIOJDDHOQW-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.49
Rot. Bonds7

About N-benzyl-2-(1-propyltetrazol-5-yl)sulfanylacetamide

N-benzyl-2-(1-propyltetrazol-5-yl)sulfanylacetamide (PubChem CID 649791) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-benzyl-2-(1-propyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(1-propyltetrazol-5-yl)sulfanylacetamide
PubChem CID649791
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN-benzyl-2-(1-propyltetrazol-5-yl)sulfanylacetamide
SMILESCCCn1nnnc1SCC(=O)NCc1ccccc1
InChIInChI=1S/C13H17N5OS/c1-2-8-18-13(15-16-17-18)20-10-12(19)14-9-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,19)
InChIKeyHPJSMIOJDDHOQW-UHFFFAOYSA-N
XLogP1.49
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-(tetrazol-1-yl)acetamide
CID 2166167
N-benzyl-N-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2363010
N-[(4-methylphenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2410322
N-(2,3-dihydro-1H-inden-2-yl)-2-[(1-ethyl-1H-1,2,3,4-tetraazol-5-yl)thio]acetamide
CID 2823496
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 4688103
N-benzyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 17395720
2-(4-Benzylamino-4H-[1,2,4]triazol-3-ylsulfanyl)-N-tert-butyl-acetamide
CID 653197
2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-1-(2,6-dimethyl-piperidin-1-yl)-ethanone
CID 654690
N-benzyl-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
CID 767927
1-benzyl-4-{[(1-methyl-1H-tetrazol-5-yl)thio]acetyl}piperazine
CID 851622
2-(4-methyl(1,2,4-triazol-3-ylthio))-N-benzylacetamide
CID 855554
2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-phenylpropyl)acetamide
CID 2096429

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-propyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-benzyl-2-(1-propyltetrazol-5-yl)sulfanylacetamide (CID 649791) is N-benzyl-2-(1-propyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-(1-propyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-benzyl-2-(1-propyltetrazol-5-yl)sulfanylacetamide is CCCn1nnnc1SCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(1-propyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is HPJSMIOJDDHOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-2-8-18-13(15-16-17-18)20-10-12(19)14-9-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,19).
What are the key properties of N-benzyl-2-(1-propyltetrazol-5-yl)sulfanylacetamide?
N-benzyl-2-(1-propyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 291.38 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-propyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 649791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).