2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C14H17N5OS — CID 4875437

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCn1nnnc1SCC(=O)NC1CCCc2ccccc21
InChIInChI=1S/C14H17N5OS/c1-19-14(16-17-18-19)21-9-13(20)15-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12H,4,6,8-9H2,1H3,(H,15,20)
InChIKeyUKJVSARUEIBRAY-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.50
Rot. Bonds4

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 4875437) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID4875437
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCn1nnnc1SCC(=O)NC1CCCc2ccccc21
InChIInChI=1S/C14H17N5OS/c1-19-14(16-17-18-19)21-9-13(20)15-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12H,4,6,8-9H2,1H3,(H,15,20)
InChIKeyUKJVSARUEIBRAY-UHFFFAOYSA-N
XLogP1.50
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4058851
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 645779
2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-phenylpropyl)acetamide
CID 2096429
2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(naphthalen-1-ylmethyl)ethanamine hydrochloride
CID 2997076
N-Benzyl-2-(1-butyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 3212943
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 3537584
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4785081
2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4878952
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 5093660
N-Benzyl-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 649791
N-(benzylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2091512

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 4875437) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is Cn1nnnc1SCC(=O)NC1CCCc2ccccc21.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is UKJVSARUEIBRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-19-14(16-17-18-19)21-9-13(20)15-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12H,4,6,8-9H2,1H3,(H,15,20).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 303.39 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 4875437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).