3-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfane

C10H15IN2S — CID 162140698

IUPAC3-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfane
SMILESCN1CCC[C@H]1c1cncc(I)c1.S
InChIInChI=1S/C10H13IN2.H2S/c1-13-4-2-3-10(13)8-5-9(11)7-12-6-8;/h5-7,10H,2-4H2,1H3;1H2/t10-;/m0./s1
InChIKeyZJWRFSQKCZPSHY-PPHPATTJSA-N
MW322.22 g/mol
LogP2.57
Rot. Bonds1

About 3-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfane

3-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfane (PubChem CID 162140698) has the molecular formula C10H15IN2S and a molecular weight of 322.22 g/mol. Its IUPAC name is 3-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfane.

Molecular Properties

Compound Name3-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfane
PubChem CID162140698
Molecular FormulaC10H15IN2S
Molecular Weight322.22 g/mol
Exact Mass322.00
IUPAC Name3-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfane
SMILESCN1CCC[C@H]1c1cncc(I)c1.S
InChIInChI=1S/C10H13IN2.H2S/c1-13-4-2-3-10(13)8-5-9(11)7-12-6-8;/h5-7,10H,2-4H2,1H3;1H2/t10-;/m0./s1
InChIKeyZJWRFSQKCZPSHY-PPHPATTJSA-N
XLogP2.57
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(1-methylpyrrolidin-2-yl)pyridin-3-amine
CID 22336401
3-ethynyl-5-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 10559473
trimethyl-[2-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]ethynyl]silane
CID 19694299
3-(1-methylpyrrolidin-2-yl)-5-phenylpyridine
CID 19694355
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217
3-(2-isocyanoethyl)-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 58537427
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341
CID 159245541
CID 159245541
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212
copper(1+);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;cyanide
CID 21152440

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfane?
The IUPAC name of 3-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfane (CID 162140698) is 3-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfane.
What is the SMILES notation for 3-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfane?
The canonical SMILES for 3-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfane is CN1CCC[C@H]1c1cncc(I)c1.S.
What is the InChIKey of 3-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfane?
The InChIKey is ZJWRFSQKCZPSHY-PPHPATTJSA-N. The full InChI is InChI=1S/C10H13IN2.H2S/c1-13-4-2-3-10(13)8-5-9(11)7-12-6-8;/h5-7,10H,2-4H2,1H3;1H2/t10-;/m0./s1.
What are the key properties of 3-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfane?
3-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfane has a molecular weight of 322.22 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfane is sourced from PubChem (CID 162140698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).