3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-1-ol

C9H16N4OS — CID 43393087

IUPAC3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-1-ol
SMILESOCCCSc1nnnn1C1CCCC1
InChIInChI=1S/C9H16N4OS/c14-6-3-7-15-9-10-11-12-13(9)8-4-1-2-5-8/h8,14H,1-7H2
InChIKeyUDSGCEYBUQQEHJ-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.26
Rot. Bonds5

About 3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-1-ol

3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-1-ol (PubChem CID 43393087) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-1-ol
PubChem CID43393087
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-1-ol
SMILESOCCCSc1nnnn1C1CCCC1
InChIInChI=1S/C9H16N4OS/c14-6-3-7-15-9-10-11-12-13(9)8-4-1-2-5-8/h8,14H,1-7H2
InChIKeyUDSGCEYBUQQEHJ-UHFFFAOYSA-N
XLogP1.26
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-1-ol?
The IUPAC name of 3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-1-ol (CID 43393087) is 3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-1-ol.
What is the SMILES notation for 3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-1-ol?
The canonical SMILES for 3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-1-ol is OCCCSc1nnnn1C1CCCC1.
What is the InChIKey of 3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-1-ol?
The InChIKey is UDSGCEYBUQQEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c14-6-3-7-15-9-10-11-12-13(9)8-4-1-2-5-8/h8,14H,1-7H2.
What are the key properties of 3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-1-ol?
3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-1-ol has a molecular weight of 228.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-1-ol is sourced from PubChem (CID 43393087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).