2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone

C11H16N4OS — CID 63902701

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone
SMILESO=C(CSc1nnnn1C1CCCC1)C1CC1
InChIInChI=1S/C11H16N4OS/c16-10(8-5-6-8)7-17-11-12-13-14-15(11)9-3-1-2-4-9/h8-9H,1-7H2
InChIKeyGZXTWJOLKZSUDI-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.86
Rot. Bonds5

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone (PubChem CID 63902701) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone
PubChem CID63902701
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone
SMILESO=C(CSc1nnnn1C1CCCC1)C1CC1
InChIInChI=1S/C11H16N4OS/c16-10(8-5-6-8)7-17-11-12-13-14-15(11)9-3-1-2-4-9/h8-9H,1-7H2
InChIKeyGZXTWJOLKZSUDI-UHFFFAOYSA-N
XLogP1.86
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanone
CID 104693488
N-cyclopentyl-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 1383738
N,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
CID 3870642
1-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 115648631
3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 37044918
propan-2-yl 2-(1-cyclopentyltetrazol-5-yl)sulfanylacetate
CID 47124350
1-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 115576378
1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]piperidin-4-one
CID 43426130
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
CID 3228976
1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061970
3-(1-cyclopentyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid
CID 79629924
N-cyclohexyl-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 51244959

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone (CID 63902701) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone is O=C(CSc1nnnn1C1CCCC1)C1CC1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone?
The InChIKey is GZXTWJOLKZSUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c16-10(8-5-6-8)7-17-11-12-13-14-15(11)9-3-1-2-4-9/h8-9H,1-7H2.
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone has a molecular weight of 252.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone is sourced from PubChem (CID 63902701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).