3-[2-(disulfanyl)propan-2-yl]-5-methoxypyridine

C9H13NOS2 — CID 139548397

IUPAC3-[2-(disulfanyl)propan-2-yl]-5-methoxypyridine
SMILESCOc1cncc(C(C)(C)SS)c1
InChIInChI=1S/C9H13NOS2/c1-9(2,13-12)7-4-8(11-3)6-10-5-7/h4-6,12H,1-3H3
InChIKeyLOIVXQKZNUHCQB-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.90
Rot. Bonds3

About 3-[2-(disulfanyl)propan-2-yl]-5-methoxypyridine

3-[2-(disulfanyl)propan-2-yl]-5-methoxypyridine (PubChem CID 139548397) has the molecular formula C9H13NOS2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[2-(disulfanyl)propan-2-yl]-5-methoxypyridine.

Molecular Properties

Compound Name3-[2-(disulfanyl)propan-2-yl]-5-methoxypyridine
PubChem CID139548397
Molecular FormulaC9H13NOS2
Molecular Weight215.34 g/mol
Exact Mass215.04
IUPAC Name3-[2-(disulfanyl)propan-2-yl]-5-methoxypyridine
SMILESCOc1cncc(C(C)(C)SS)c1
InChIInChI=1S/C9H13NOS2/c1-9(2,13-12)7-4-8(11-3)6-10-5-7/h4-6,12H,1-3H3
InChIKeyLOIVXQKZNUHCQB-UHFFFAOYSA-N
XLogP2.90
TPSA22.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-tert-butyl-5-methoxypyridine
CID 21031507
ethane;3-methoxy-5-(trifluoromethyl)pyridine
CID 176999703
3-methoxy-5-(2-methylhexan-2-yl)pyridine
CID 130238683
2-fluoro-2-(5-methoxy-3-pyridinyl)-3,3-dimethylbutan-1-amine
CID 112566577
S-(5-methoxy-3-pyridinyl)thiohydroxylamine
CID 134532168
1,3-dimethoxy-5-(trimethoxymethyl)benzene
CID 103399645
3-tert-butyl-5-(2,2-difluoroethoxy)pyridine
CID 167245615
3-(2-bromoethyl)-5-methoxypyridine
CID 22037882
ethane;5-methoxy-N-methylpyridin-3-amine
CID 168998921
N-fluoro-5-methoxypyridin-3-amine
CID 155111247
3-(dimethoxymethyl)-5-methoxypyridine
CID 45361740
1-(3-fluorophenyl)-1-(5-methoxy-3-pyridinyl)propan-1-amine
CID 114872623

Frequently Asked Questions

What is the IUPAC name of 3-[2-(disulfanyl)propan-2-yl]-5-methoxypyridine?
The IUPAC name of 3-[2-(disulfanyl)propan-2-yl]-5-methoxypyridine (CID 139548397) is 3-[2-(disulfanyl)propan-2-yl]-5-methoxypyridine.
What is the SMILES notation for 3-[2-(disulfanyl)propan-2-yl]-5-methoxypyridine?
The canonical SMILES for 3-[2-(disulfanyl)propan-2-yl]-5-methoxypyridine is COc1cncc(C(C)(C)SS)c1.
What is the InChIKey of 3-[2-(disulfanyl)propan-2-yl]-5-methoxypyridine?
The InChIKey is LOIVXQKZNUHCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS2/c1-9(2,13-12)7-4-8(11-3)6-10-5-7/h4-6,12H,1-3H3.
What are the key properties of 3-[2-(disulfanyl)propan-2-yl]-5-methoxypyridine?
3-[2-(disulfanyl)propan-2-yl]-5-methoxypyridine has a molecular weight of 215.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(disulfanyl)propan-2-yl]-5-methoxypyridine is sourced from PubChem (CID 139548397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).