propan-2-yl 2-(1-cyclopentyltetrazol-5-yl)sulfanylacetate

C11H18N4O2S — CID 47124350

IUPACpropan-2-yl 2-(1-cyclopentyltetrazol-5-yl)sulfanylacetate
SMILESCC(C)OC(=O)CSc1nnnn1C1CCCC1
InChIInChI=1S/C11H18N4O2S/c1-8(2)17-10(16)7-18-11-12-13-14-15(11)9-5-3-4-6-9/h8-9H,3-7H2,1-2H3
InChIKeyBIUKWMKVGABISQ-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.83
Rot. Bonds5

About propan-2-yl 2-(1-cyclopentyltetrazol-5-yl)sulfanylacetate

propan-2-yl 2-(1-cyclopentyltetrazol-5-yl)sulfanylacetate (PubChem CID 47124350) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is propan-2-yl 2-(1-cyclopentyltetrazol-5-yl)sulfanylacetate.

Molecular Properties

Compound Namepropan-2-yl 2-(1-cyclopentyltetrazol-5-yl)sulfanylacetate
PubChem CID47124350
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Namepropan-2-yl 2-(1-cyclopentyltetrazol-5-yl)sulfanylacetate
SMILESCC(C)OC(=O)CSc1nnnn1C1CCCC1
InChIInChI=1S/C11H18N4O2S/c1-8(2)17-10(16)7-18-11-12-13-14-15(11)9-5-3-4-6-9/h8-9H,3-7H2,1-2H3
InChIKeyBIUKWMKVGABISQ-UHFFFAOYSA-N
XLogP1.83
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-amine
CID 64649517
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone
CID 63902701
N-cyclopentyl-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 1383738
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 56560718
5-[2-(bromomethyl)-3-methylbutyl]sulfanyl-1-cyclopentyltetrazole
CID 65011776
N,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
CID 3870642
3-amino-4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol
CID 64897515
3-(1-cyclopentyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid
CID 79629924
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 40702766
N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]propan-2-amine
CID 61386323
3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 37044918
1-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,3-dimethylbutan-2-one
CID 43231239

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(1-cyclopentyltetrazol-5-yl)sulfanylacetate?
The IUPAC name of propan-2-yl 2-(1-cyclopentyltetrazol-5-yl)sulfanylacetate (CID 47124350) is propan-2-yl 2-(1-cyclopentyltetrazol-5-yl)sulfanylacetate.
What is the SMILES notation for propan-2-yl 2-(1-cyclopentyltetrazol-5-yl)sulfanylacetate?
The canonical SMILES for propan-2-yl 2-(1-cyclopentyltetrazol-5-yl)sulfanylacetate is CC(C)OC(=O)CSc1nnnn1C1CCCC1.
What is the InChIKey of propan-2-yl 2-(1-cyclopentyltetrazol-5-yl)sulfanylacetate?
The InChIKey is BIUKWMKVGABISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-8(2)17-10(16)7-18-11-12-13-14-15(11)9-5-3-4-6-9/h8-9H,3-7H2,1-2H3.
What are the key properties of propan-2-yl 2-(1-cyclopentyltetrazol-5-yl)sulfanylacetate?
propan-2-yl 2-(1-cyclopentyltetrazol-5-yl)sulfanylacetate has a molecular weight of 270.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(1-cyclopentyltetrazol-5-yl)sulfanylacetate is sourced from PubChem (CID 47124350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).