5-[(1R)-1-aminopropyl]-3-methyl-1H-pyridine-2-thione

C9H14N2S — CID 124501583

IUPAC5-[(1R)-1-aminopropyl]-3-methyl-1H-pyridine-2-thione
SMILESCC[C@@H](N)c1c[nH]c(=S)c(C)c1
InChIInChI=1S/C9H14N2S/c1-3-8(10)7-4-6(2)9(12)11-5-7/h4-5,8H,3,10H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyOSUOBJVSOGMEJV-MRVPVSSYSA-N
MW182.29 g/mol
LogP2.46
Rot. Bonds2

About 5-[(1R)-1-aminopropyl]-3-methyl-1H-pyridine-2-thione

5-[(1R)-1-aminopropyl]-3-methyl-1H-pyridine-2-thione (PubChem CID 124501583) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 5-[(1R)-1-aminopropyl]-3-methyl-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-[(1R)-1-aminopropyl]-3-methyl-1H-pyridine-2-thione
PubChem CID124501583
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name5-[(1R)-1-aminopropyl]-3-methyl-1H-pyridine-2-thione
SMILESCC[C@@H](N)c1c[nH]c(=S)c(C)c1
InChIInChI=1S/C9H14N2S/c1-3-8(10)7-4-6(2)9(12)11-5-7/h4-5,8H,3,10H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyOSUOBJVSOGMEJV-MRVPVSSYSA-N
XLogP2.46
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-Dimethyl-1,2-dihydropyridine-2-thione
CID 18731626
2-Mercapto-4,5-dimethylpyridine
CID 20083038
4-Ethyl-1H-pyridine-2-thione
CID 15788422
5-Propan-2-yl-1H-pyridine-2-thione
CID 18779006
3-ethyl-5-methyl-1H-pyridine-2-thione
CID 20083037
5-ethyl-3-methyl-1H-pyridine-2-thione
CID 20083043
3,5-diethyl-1H-pyridine-2-thione
CID 20083047
4,5-diethyl-1H-pyridine-2-thione
CID 20083049
5-ethyl-4-methyl-1H-pyridine-2-thione
CID 20083055
5-ethyl-1H-pyridine-2-thione
CID 20083057
4-ethyl-5-methyl-1H-pyridine-2-thione
CID 20083062
4-ethyl-3-methyl-1H-pyridine-2-thione
CID 20083065

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-aminopropyl]-3-methyl-1H-pyridine-2-thione?
The IUPAC name of 5-[(1R)-1-aminopropyl]-3-methyl-1H-pyridine-2-thione (CID 124501583) is 5-[(1R)-1-aminopropyl]-3-methyl-1H-pyridine-2-thione.
What is the SMILES notation for 5-[(1R)-1-aminopropyl]-3-methyl-1H-pyridine-2-thione?
The canonical SMILES for 5-[(1R)-1-aminopropyl]-3-methyl-1H-pyridine-2-thione is CC[C@@H](N)c1c[nH]c(=S)c(C)c1.
What is the InChIKey of 5-[(1R)-1-aminopropyl]-3-methyl-1H-pyridine-2-thione?
The InChIKey is OSUOBJVSOGMEJV-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-3-8(10)7-4-6(2)9(12)11-5-7/h4-5,8H,3,10H2,1-2H3,(H,11,12)/t8-/m1/s1.
What are the key properties of 5-[(1R)-1-aminopropyl]-3-methyl-1H-pyridine-2-thione?
5-[(1R)-1-aminopropyl]-3-methyl-1H-pyridine-2-thione has a molecular weight of 182.29 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-aminopropyl]-3-methyl-1H-pyridine-2-thione is sourced from PubChem (CID 124501583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).