1-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylethanone

C9H14N4OS — CID 115648631

IUPAC1-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylethanone
SMILESCn1nnnc1SCC(=O)C1CCCC1
InChIInChI=1S/C9H14N4OS/c1-13-9(10-11-12-13)15-6-8(14)7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyLVWSVIIXWYFRDZ-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.06
Rot. Bonds4

About 1-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylethanone

1-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylethanone (PubChem CID 115648631) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylethanone
PubChem CID115648631
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name1-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylethanone
SMILESCn1nnnc1SCC(=O)C1CCCC1
InChIInChI=1S/C9H14N4OS/c1-13-9(10-11-12-13)15-6-8(14)7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyLVWSVIIXWYFRDZ-UHFFFAOYSA-N
XLogP1.06
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 115576378
N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]cyclohexanecarbohydrazide
CID 863319
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone
CID 63902701
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 9231101
1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 9231098
1-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 115648629
ethyl (3R)-1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]piperidine-3-carboxylate
CID 2359345
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8564551
2-(1-methyltetrazol-5-yl)sulfanyl-1-(1,2,3,4,5,6,7,8-octahydrocarbazol-9-yl)ethanone
CID 2995946
1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
CID 1281683
4-(1-methyltetrazol-5-yl)sulfanylbutan-2-one
CID 3613438
1-cyclopropyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 104599488

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylethanone (CID 115648631) is 1-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylethanone is Cn1nnnc1SCC(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The InChIKey is LVWSVIIXWYFRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-13-9(10-11-12-13)15-6-8(14)7-4-2-3-5-7/h7H,2-6H2,1H3.
What are the key properties of 1-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylethanone?
1-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylethanone has a molecular weight of 226.30 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 115648631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).