3-[(1-methyltetrazol-5-yl)sulfanylmethyl]pentan-3-ol

C8H16N4OS — CID 115914650

IUPAC3-[(1-methyltetrazol-5-yl)sulfanylmethyl]pentan-3-ol
SMILESCCC(O)(CC)CSc1nnnn1C
InChIInChI=1S/C8H16N4OS/c1-4-8(13,5-2)6-14-7-9-10-11-12(7)3/h13H,4-6H2,1-3H3
InChIKeyACXQDVQKTJSYKZ-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.85
Rot. Bonds5

About 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]pentan-3-ol

3-[(1-methyltetrazol-5-yl)sulfanylmethyl]pentan-3-ol (PubChem CID 115914650) has the molecular formula C8H16N4OS and a molecular weight of 216.31 g/mol. Its IUPAC name is 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(1-methyltetrazol-5-yl)sulfanylmethyl]pentan-3-ol
PubChem CID115914650
Molecular FormulaC8H16N4OS
Molecular Weight216.31 g/mol
Exact Mass216.10
IUPAC Name3-[(1-methyltetrazol-5-yl)sulfanylmethyl]pentan-3-ol
SMILESCCC(O)(CC)CSc1nnnn1C
InChIInChI=1S/C8H16N4OS/c1-4-8(13,5-2)6-14-7-9-10-11-12(7)3/h13H,4-6H2,1-3H3
InChIKeyACXQDVQKTJSYKZ-UHFFFAOYSA-N
XLogP0.85
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
CID 1281683
3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol
CID 43388613
3,3-dimethyl-1-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine
CID 64620404
2-methyl-3-(1-methyltetrazol-5-yl)sulfanylpropanoic acid
CID 43538122
trifluoro-[(1-methyltetrazol-5-yl)sulfanylmethyl]boranuide
CID 63702874
4-(1-methyltetrazol-5-yl)sulfanylbutan-2-one
CID 3613438
3-[[(1-methyltetrazol-5-yl)amino]methyl]pentan-3-ol
CID 63719018
5-(4-chlorobut-2-enylsulfanyl)-1-methyltetrazole
CID 77051451
1-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]tetrazole-5-thione
CID 15561103
N-ethyl-1-(1-methyltetrazol-5-yl)sulfanylpropan-2-amine
CID 64619826
3-(2-ethyl-2-hydroxybutyl)sulfanyl-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107786279
5-ethylsulfanyl-1-methyltetrazole;1-phenylethanol
CID 157111853

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]pentan-3-ol?
The IUPAC name of 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]pentan-3-ol (CID 115914650) is 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]pentan-3-ol.
What is the SMILES notation for 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]pentan-3-ol?
The canonical SMILES for 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]pentan-3-ol is CCC(O)(CC)CSc1nnnn1C.
What is the InChIKey of 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]pentan-3-ol?
The InChIKey is ACXQDVQKTJSYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4OS/c1-4-8(13,5-2)6-14-7-9-10-11-12(7)3/h13H,4-6H2,1-3H3.
What are the key properties of 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]pentan-3-ol?
3-[(1-methyltetrazol-5-yl)sulfanylmethyl]pentan-3-ol has a molecular weight of 216.31 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]pentan-3-ol is sourced from PubChem (CID 115914650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).