[amino(methylsulfanyl)methylidene]-(3-pyridin-2-ylpropyl)azanium iodide

C10H16IN3S — CID 19861123

IUPAC[amino(methylsulfanyl)methylidene]-(3-pyridin-2-ylpropyl)azanium iodide
SMILESCS/C(N)=[NH+]\CCCc1ccccn1.[I-]
InChIInChI=1S/C10H15N3S.HI/c1-14-10(11)13-8-4-6-9-5-2-3-7-12-9;/h2-3,5,7H,4,6,8H2,1H3,(H2,11,13);1H
InChIKeyJOGRIKGFSCEMBW-UHFFFAOYSA-N
MW337.23 g/mol
LogP-3.22
Rot. Bonds4

About [amino(methylsulfanyl)methylidene]-(3-pyridin-2-ylpropyl)azanium iodide

[amino(methylsulfanyl)methylidene]-(3-pyridin-2-ylpropyl)azanium iodide (PubChem CID 19861123) has the molecular formula C10H16IN3S and a molecular weight of 337.23 g/mol. Its IUPAC name is [amino(methylsulfanyl)methylidene]-(3-pyridin-2-ylpropyl)azanium iodide.

Molecular Properties

Compound Name[amino(methylsulfanyl)methylidene]-(3-pyridin-2-ylpropyl)azanium iodide
PubChem CID19861123
Molecular FormulaC10H16IN3S
Molecular Weight337.23 g/mol
Exact Mass337.01
IUPAC Name[amino(methylsulfanyl)methylidene]-(3-pyridin-2-ylpropyl)azanium iodide
SMILESCS/C(N)=[NH+]\CCCc1ccccn1.[I-]
InChIInChI=1S/C10H15N3S.HI/c1-14-10(11)13-8-4-6-9-5-2-3-7-12-9;/h2-3,5,7H,4,6,8H2,1H3,(H2,11,13);1H
InChIKeyJOGRIKGFSCEMBW-UHFFFAOYSA-N
XLogP-3.22
TPSA52.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 5-3.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl N'-(3-pyridin-2-ylpropyl)carbamimidothioate
CID 14126562
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2-undecylpyridine
CID 66882765
9-pyridin-2-ylnonan-1-ol
CID 12680899
(9Z,12Z)-18-pyridin-2-yloctadeca-9,12-dienamide
CID 122703922
2-hex-4-enylpyridine
CID 174507430
(2R)-5-pyridin-2-ylpentan-2-ol
CID 149104953
2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine
CID 158040240
chromium;2-pentylpyridine;hydrochloride
CID 175220071
2-hexadecylpyridine;hydrate
CID 141211108
2-tetradecylpyridine;hydrochloride
CID 45489746
2-(5,5-dimethylhexyl)pyridine
CID 151657269

Frequently Asked Questions

What is the IUPAC name of [amino(methylsulfanyl)methylidene]-(3-pyridin-2-ylpropyl)azanium iodide?
The IUPAC name of [amino(methylsulfanyl)methylidene]-(3-pyridin-2-ylpropyl)azanium iodide (CID 19861123) is [amino(methylsulfanyl)methylidene]-(3-pyridin-2-ylpropyl)azanium iodide.
What is the SMILES notation for [amino(methylsulfanyl)methylidene]-(3-pyridin-2-ylpropyl)azanium iodide?
The canonical SMILES for [amino(methylsulfanyl)methylidene]-(3-pyridin-2-ylpropyl)azanium iodide is CS/C(N)=[NH+]\CCCc1ccccn1.[I-].
What is the InChIKey of [amino(methylsulfanyl)methylidene]-(3-pyridin-2-ylpropyl)azanium iodide?
The InChIKey is JOGRIKGFSCEMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S.HI/c1-14-10(11)13-8-4-6-9-5-2-3-7-12-9;/h2-3,5,7H,4,6,8H2,1H3,(H2,11,13);1H.
What are the key properties of [amino(methylsulfanyl)methylidene]-(3-pyridin-2-ylpropyl)azanium iodide?
[amino(methylsulfanyl)methylidene]-(3-pyridin-2-ylpropyl)azanium iodide has a molecular weight of 337.23 g/mol, XLogP of -3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(methylsulfanyl)methylidene]-(3-pyridin-2-ylpropyl)azanium iodide is sourced from PubChem (CID 19861123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).