dimethyl-(6-propan-2-yloxy-2-pyridinyl)-sulfanyl-λ4-sulfane

C10H17NOS2 — CID 130224781

IUPACdimethyl-(6-propan-2-yloxy-2-pyridinyl)-sulfanyl-λ4-sulfane
SMILESCC(C)Oc1cccc(S(C)(C)S)n1
InChIInChI=1S/C10H17NOS2/c1-8(2)12-9-6-5-7-10(11-9)14(3,4)13/h5-8,13H,1-4H3
InChIKeyVOANIVDKFYYDJI-UHFFFAOYSA-N
MW231.39 g/mol
LogP3.14
Rot. Bonds3

About dimethyl-(6-propan-2-yloxy-2-pyridinyl)-sulfanyl-λ4-sulfane

dimethyl-(6-propan-2-yloxy-2-pyridinyl)-sulfanyl-λ4-sulfane (PubChem CID 130224781) has the molecular formula C10H17NOS2 and a molecular weight of 231.39 g/mol. Its IUPAC name is dimethyl-(6-propan-2-yloxy-2-pyridinyl)-sulfanyl-λ4-sulfane.

Molecular Properties

Compound Namedimethyl-(6-propan-2-yloxy-2-pyridinyl)-sulfanyl-λ4-sulfane
PubChem CID130224781
Molecular FormulaC10H17NOS2
Molecular Weight231.39 g/mol
Exact Mass231.08
IUPAC Namedimethyl-(6-propan-2-yloxy-2-pyridinyl)-sulfanyl-λ4-sulfane
SMILESCC(C)Oc1cccc(S(C)(C)S)n1
InChIInChI=1S/C10H17NOS2/c1-8(2)12-9-6-5-7-10(11-9)14(3,4)13/h5-8,13H,1-4H3
InChIKeyVOANIVDKFYYDJI-UHFFFAOYSA-N
XLogP3.14
TPSA22.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-propan-2-yloxypyridine-2-sulfonyl chloride
CID 117167945
ethane;2-methyl-6-propan-2-yloxypyridine
CID 145378960
(6-propan-2-yloxy-2-pyridinyl) hydrogen carbonate
CID 129216307
CID 160765795
CID 160765795
N-ethyl-6-propan-2-yloxypyridin-2-amine
CID 80859521
N-[(6-propan-2-yloxy-2-pyridinyl)methyl]propan-2-amine
CID 62290162
2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120520363
1-phenyl-2-(6-propan-2-yloxy-2-pyridinyl)ethanone
CID 15783757
3-methyl-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]pentanoic acid
CID 120520770
N-(2-hydroxypropyl)-6-propan-2-yloxypyridine-2-carboxamide
CID 109399314
1-(6-propan-2-yloxy-2-pyridinyl)imidazolidin-2-one
CID 122219867
2-methyl-2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120518663

Frequently Asked Questions

What is the IUPAC name of dimethyl-(6-propan-2-yloxy-2-pyridinyl)-sulfanyl-λ4-sulfane?
The IUPAC name of dimethyl-(6-propan-2-yloxy-2-pyridinyl)-sulfanyl-λ4-sulfane (CID 130224781) is dimethyl-(6-propan-2-yloxy-2-pyridinyl)-sulfanyl-λ4-sulfane.
What is the SMILES notation for dimethyl-(6-propan-2-yloxy-2-pyridinyl)-sulfanyl-λ4-sulfane?
The canonical SMILES for dimethyl-(6-propan-2-yloxy-2-pyridinyl)-sulfanyl-λ4-sulfane is CC(C)Oc1cccc(S(C)(C)S)n1.
What is the InChIKey of dimethyl-(6-propan-2-yloxy-2-pyridinyl)-sulfanyl-λ4-sulfane?
The InChIKey is VOANIVDKFYYDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS2/c1-8(2)12-9-6-5-7-10(11-9)14(3,4)13/h5-8,13H,1-4H3.
What are the key properties of dimethyl-(6-propan-2-yloxy-2-pyridinyl)-sulfanyl-λ4-sulfane?
dimethyl-(6-propan-2-yloxy-2-pyridinyl)-sulfanyl-λ4-sulfane has a molecular weight of 231.39 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(6-propan-2-yloxy-2-pyridinyl)-sulfanyl-λ4-sulfane is sourced from PubChem (CID 130224781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).