6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexan-1-ol

C9H16N2O2S — CID 103867892

IUPAC6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexan-1-ol
SMILESCc1nnc(SCCCCCCO)o1
InChIInChI=1S/C9H16N2O2S/c1-8-10-11-9(13-8)14-7-5-3-2-4-6-12/h12H,2-7H2,1H3
InChIKeyOCYYWXUVUJGCFQ-UHFFFAOYSA-N
MW216.31 g/mol
LogP2.02
Rot. Bonds7

About 6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexan-1-ol

6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexan-1-ol (PubChem CID 103867892) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexan-1-ol.

Molecular Properties

Compound Name6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexan-1-ol
PubChem CID103867892
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexan-1-ol
SMILESCc1nnc(SCCCCCCO)o1
InChIInChI=1S/C9H16N2O2S/c1-8-10-11-9(13-8)14-7-5-3-2-4-6-12/h12H,2-7H2,1H3
InChIKeyOCYYWXUVUJGCFQ-UHFFFAOYSA-N
XLogP2.02
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-2,2-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexanimidamide
CID 106712726
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butan-1-ol
CID 106923624
5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol
CID 110911807
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanal
CID 4090699
ethyl 2-methyl-2-(methylamino)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexanoate
CID 62254728
2-amino-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid
CID 63033819
2-(ethylamino)-2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentanoic acid
CID 62255628
N'-hydroxy-2,2-dimethyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanimidamide
CID 77062397
4-methyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]pentan-1-amine
CID 62579913
3,3-dimethyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]butan-1-amine
CID 62580275
2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propylamino)pentanamide
CID 62253671
4-[4-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]phenyl]but-3-yn-1-ol
CID 62255450

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexan-1-ol?
The IUPAC name of 6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexan-1-ol (CID 103867892) is 6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexan-1-ol.
What is the SMILES notation for 6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexan-1-ol?
The canonical SMILES for 6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexan-1-ol is Cc1nnc(SCCCCCCO)o1.
What is the InChIKey of 6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexan-1-ol?
The InChIKey is OCYYWXUVUJGCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-8-10-11-9(13-8)14-7-5-3-2-4-6-12/h12H,2-7H2,1H3.
What are the key properties of 6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexan-1-ol?
6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexan-1-ol has a molecular weight of 216.31 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexan-1-ol is sourced from PubChem (CID 103867892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).