5-[(1S)-1-aminopropyl]-6-methyl-1H-pyridine-2-thione

C9H14N2S — CID 124502610

IUPAC5-[(1S)-1-aminopropyl]-6-methyl-1H-pyridine-2-thione
SMILESCC[C@H](N)c1ccc(=S)[nH]c1C
InChIInChI=1S/C9H14N2S/c1-3-8(10)7-4-5-9(12)11-6(7)2/h4-5,8H,3,10H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeyGWBGTOLWNSDYNJ-QMMMGPOBSA-N
MW182.29 g/mol
LogP2.46
Rot. Bonds2

About 5-[(1S)-1-aminopropyl]-6-methyl-1H-pyridine-2-thione

5-[(1S)-1-aminopropyl]-6-methyl-1H-pyridine-2-thione (PubChem CID 124502610) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 5-[(1S)-1-aminopropyl]-6-methyl-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-[(1S)-1-aminopropyl]-6-methyl-1H-pyridine-2-thione
PubChem CID124502610
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name5-[(1S)-1-aminopropyl]-6-methyl-1H-pyridine-2-thione
SMILESCC[C@H](N)c1ccc(=S)[nH]c1C
InChIInChI=1S/C9H14N2S/c1-3-8(10)7-4-5-9(12)11-6(7)2/h4-5,8H,3,10H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeyGWBGTOLWNSDYNJ-QMMMGPOBSA-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

5-[(1S)-1-aminoethyl]-6-methyl-1H-pyridine-2-thione
CID 124502609
3-[(1R)-1-aminopropyl]-6-methyl-1H-pyridin-2-one
CID 131071334
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
5-(1-aminopentyl)-6-methyl-1H-pyridin-2-one
CID 55296910
(1S)-1-(1H-indol-7-yl)propan-1-amine
CID 55254624
4-[(1R)-1-aminopropyl]-2-methylbenzene-1,3-diol
CID 131118575
(1R)-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 78961015
1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 62790852
(1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride
CID 171211834
(1S)-1-[2-(difluoromethyl)-5-fluorophenyl]propan-1-amine
CID 130631832
(1R)-1-(7-methyl-2,3-dihydro-1H-inden-4-yl)propan-1-amine
CID 130655075
1-(2-iodo-3-methylphenyl)propan-1-amine
CID 103846034

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-aminopropyl]-6-methyl-1H-pyridine-2-thione?
The IUPAC name of 5-[(1S)-1-aminopropyl]-6-methyl-1H-pyridine-2-thione (CID 124502610) is 5-[(1S)-1-aminopropyl]-6-methyl-1H-pyridine-2-thione.
What is the SMILES notation for 5-[(1S)-1-aminopropyl]-6-methyl-1H-pyridine-2-thione?
The canonical SMILES for 5-[(1S)-1-aminopropyl]-6-methyl-1H-pyridine-2-thione is CC[C@H](N)c1ccc(=S)[nH]c1C.
What is the InChIKey of 5-[(1S)-1-aminopropyl]-6-methyl-1H-pyridine-2-thione?
The InChIKey is GWBGTOLWNSDYNJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N2S/c1-3-8(10)7-4-5-9(12)11-6(7)2/h4-5,8H,3,10H2,1-2H3,(H,11,12)/t8-/m0/s1.
What are the key properties of 5-[(1S)-1-aminopropyl]-6-methyl-1H-pyridine-2-thione?
5-[(1S)-1-aminopropyl]-6-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-[(1S)-1-aminopropyl]-6-methyl-1H-pyridine-2-thione is sourced from PubChem (CID 124502610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).