5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole

C11H18N4OS — CID 95691699

IUPAC5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole
SMILESC1CCC(Sc2nnnn2C[C@H]2CCCO2)C1
InChIInChI=1S/C11H18N4OS/c1-2-6-10(5-1)17-11-12-13-14-15(11)8-9-4-3-7-16-9/h9-10H,1-8H2/t9-/m1/s1
InChIKeyVQYIAAONUFGOQW-SECBINFHSA-N
MW254.36 g/mol
LogP1.89
Rot. Bonds4

About 5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole

5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole (PubChem CID 95691699) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole.

Molecular Properties

Compound Name5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole
PubChem CID95691699
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole
SMILESC1CCC(Sc2nnnn2C[C@H]2CCCO2)C1
InChIInChI=1S/C11H18N4OS/c1-2-6-10(5-1)17-11-12-13-14-15(11)8-9-4-3-7-16-9/h9-10H,1-8H2/t9-/m1/s1
InChIKeyVQYIAAONUFGOQW-SECBINFHSA-N
XLogP1.89
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-chloroprop-2-enylsulfanyl)-1-(oxolan-2-ylmethyl)tetrazole
CID 72691656
2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylbutan-1-ol
CID 126836605
6-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 24523086
1-(azepan-1-yl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylethanone
CID 127667265
2-(5-cycloheptylsulfanyltetrazol-1-yl)ethanol
CID 82924457
1-[2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one
CID 9292064
1-[1-(oxan-2-ylmethyl)tetrazol-5-yl]ethanamine
CID 103085687
(2S)-2-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-4-propan-2-ylmorpholine
CID 124741283
(2R)-N-cyclopropyl-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylpropanamide
CID 9388416
N-(methylcarbamoyl)-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
CID 9388365
5-chloro-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]pyridine
CID 75498623
N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine
CID 62736301

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole?
The IUPAC name of 5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole (CID 95691699) is 5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole.
What is the SMILES notation for 5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole?
The canonical SMILES for 5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole is C1CCC(Sc2nnnn2C[C@H]2CCCO2)C1.
What is the InChIKey of 5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole?
The InChIKey is VQYIAAONUFGOQW-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-2-6-10(5-1)17-11-12-13-14-15(11)8-9-4-3-7-16-9/h9-10H,1-8H2/t9-/m1/s1.
What are the key properties of 5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole?
5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole has a molecular weight of 254.36 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole is sourced from PubChem (CID 95691699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).