2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylbutan-1-ol

C10H18N4O2S — CID 126836605

IUPAC2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylbutan-1-ol
SMILESCCC(CO)Sc1nnnn1CC1CCCO1
InChIInChI=1S/C10H18N4O2S/c1-2-9(7-15)17-10-11-12-13-14(10)6-8-4-3-5-16-8/h8-9,15H,2-7H2,1H3
InChIKeyIMXBNDRGKDOGFV-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.72
Rot. Bonds6

About 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylbutan-1-ol

2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylbutan-1-ol (PubChem CID 126836605) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylbutan-1-ol.

Molecular Properties

Compound Name2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylbutan-1-ol
PubChem CID126836605
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylbutan-1-ol
SMILESCCC(CO)Sc1nnnn1CC1CCCO1
InChIInChI=1S/C10H18N4O2S/c1-2-9(7-15)17-10-11-12-13-14(10)6-8-4-3-5-16-8/h8-9,15H,2-7H2,1H3
InChIKeyIMXBNDRGKDOGFV-UHFFFAOYSA-N
XLogP0.72
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-cyclopropyl-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylpropanamide
CID 9388416
N-tert-butyl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 51259252
5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole
CID 95691699
(2R)-N-(methylcarbamoyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylpropanamide
CID 9388385
2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one
CID 51259176
N-butyl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51240238
3-tert-butyl-5-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole
CID 94020570
N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine
CID 62736301
1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 17398260
N-(methylcarbamoyl)-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
CID 9388365
N-(4-chlorophenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 46640350
N-benzyl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 46640571

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylbutan-1-ol?
The IUPAC name of 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylbutan-1-ol (CID 126836605) is 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylbutan-1-ol.
What is the SMILES notation for 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylbutan-1-ol?
The canonical SMILES for 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylbutan-1-ol is CCC(CO)Sc1nnnn1CC1CCCO1.
What is the InChIKey of 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylbutan-1-ol?
The InChIKey is IMXBNDRGKDOGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-2-9(7-15)17-10-11-12-13-14(10)6-8-4-3-5-16-8/h8-9,15H,2-7H2,1H3.
What are the key properties of 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylbutan-1-ol?
2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylbutan-1-ol has a molecular weight of 258.35 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylbutan-1-ol is sourced from PubChem (CID 126836605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).