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

C8H12N2S — CID 124502609

IUPAC5-[(1S)-1-aminoethyl]-6-methyl-1H-pyridine-2-thione
SMILESCc1[nH]c(=S)ccc1[C@H](C)N
InChIInChI=1S/C8H12N2S/c1-5(9)7-3-4-8(11)10-6(7)2/h3-5H,9H2,1-2H3,(H,10,11)/t5-/m0/s1
InChIKeyKHSDQCGCCJWYOO-YFKPBYRVSA-N
MW168.26 g/mol
LogP2.07
Rot. Bonds1

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

5-[(1S)-1-aminoethyl]-6-methyl-1H-pyridine-2-thione (PubChem CID 124502609) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 5-[(1S)-1-aminoethyl]-6-methyl-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-[(1S)-1-aminoethyl]-6-methyl-1H-pyridine-2-thione
PubChem CID124502609
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name5-[(1S)-1-aminoethyl]-6-methyl-1H-pyridine-2-thione
SMILESCc1[nH]c(=S)ccc1[C@H](C)N
InChIInChI=1S/C8H12N2S/c1-5(9)7-3-4-8(11)10-6(7)2/h3-5H,9H2,1-2H3,(H,10,11)/t5-/m0/s1
InChIKeyKHSDQCGCCJWYOO-YFKPBYRVSA-N
XLogP2.07
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.07
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-aminopropyl]-6-methyl-1H-pyridine-2-thione
CID 124502610
3-[(1R)-1-aminoethyl]-6-propan-2-yl-1H-pyridin-2-one
CID 96689933
5-[(1R)-1-aminoethyl]-4-methyl-1H-pyridine-2-thione
CID 124502094
5-[(1S)-1-amino-2-methylpropyl]-6-methyl-1H-pyridin-2-one
CID 130648700
3-(1-aminoethyl)-6-methylbenzene-1,2-diol
CID 84652680
5-[(1R,2S)-1-amino-2-hydroxypropyl]-6-methyl-1H-pyridin-2-one
CID 55294913
4-(1-aminoethyl)-2,3-dimethylphenol
CID 82266494
4-[(1R)-1-aminoethyl]-3-methylaniline
CID 55273899
1-(5-methyl-1H-pyrazol-4-yl)ethanamine
CID 43209035
1-(1H-indol-7-yl)ethanamine
CID 68767780
5-(1-aminoethyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 87997783
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-aminoethyl]-6-methyl-1H-pyridine-2-thione?
The IUPAC name of 5-[(1S)-1-aminoethyl]-6-methyl-1H-pyridine-2-thione (CID 124502609) is 5-[(1S)-1-aminoethyl]-6-methyl-1H-pyridine-2-thione.
What is the SMILES notation for 5-[(1S)-1-aminoethyl]-6-methyl-1H-pyridine-2-thione?
The canonical SMILES for 5-[(1S)-1-aminoethyl]-6-methyl-1H-pyridine-2-thione is Cc1[nH]c(=S)ccc1[C@H](C)N.
What is the InChIKey of 5-[(1S)-1-aminoethyl]-6-methyl-1H-pyridine-2-thione?
The InChIKey is KHSDQCGCCJWYOO-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H12N2S/c1-5(9)7-3-4-8(11)10-6(7)2/h3-5H,9H2,1-2H3,(H,10,11)/t5-/m0/s1.
What are the key properties of 5-[(1S)-1-aminoethyl]-6-methyl-1H-pyridine-2-thione?
5-[(1S)-1-aminoethyl]-6-methyl-1H-pyridine-2-thione has a molecular weight of 168.26 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-aminoethyl]-6-methyl-1H-pyridine-2-thione is sourced from PubChem (CID 124502609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).