azonane-2-thiol

C8H17NS — CID 166727126

IUPACazonane-2-thiol
SMILESSC1CCCCCCCN1
InChIInChI=1S/C8H17NS/c10-8-6-4-2-1-3-5-7-9-8/h8-10H,1-7H2
InChIKeyJFQMQJMJNFESIT-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.19
Rot. Bonds

About azonane-2-thiol

azonane-2-thiol (PubChem CID 166727126) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is azonane-2-thiol.

Molecular Properties

Compound Nameazonane-2-thiol
PubChem CID166727126
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Nameazonane-2-thiol
SMILESSC1CCCCCCCN1
InChIInChI=1S/C8H17NS/c10-8-6-4-2-1-3-5-7-9-8/h8-10H,1-7H2
InChIKeyJFQMQJMJNFESIT-UHFFFAOYSA-N
XLogP2.19
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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2-cyclodecylazecane
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2-methylpiperidine
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2-pyrrolidin-2-ylpiperidine
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CID 115030388
methane;2-methylpiperidine
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(2R)-2-bromopiperidine
CID 34174982
(2S)-2-methylpiperidine;(2S)-2-methylpyrrolidine
CID 164977059
(2R)-2-propan-2-ylazepane
CID 7048221

Frequently Asked Questions

What is the IUPAC name of azonane-2-thiol?
The IUPAC name of azonane-2-thiol (CID 166727126) is azonane-2-thiol.
What is the SMILES notation for azonane-2-thiol?
The canonical SMILES for azonane-2-thiol is SC1CCCCCCCN1.
What is the InChIKey of azonane-2-thiol?
The InChIKey is JFQMQJMJNFESIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c10-8-6-4-2-1-3-5-7-9-8/h8-10H,1-7H2.
What are the key properties of azonane-2-thiol?
azonane-2-thiol has a molecular weight of 159.30 g/mol, XLogP of 2.19, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azonane-2-thiol is sourced from PubChem (CID 166727126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).