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

C9H14N2S — CID 102544993

IUPAC5-(1-aminopropyl)-3-methyl-1H-pyridine-2-thione
SMILESCCC(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)
InChIKeyOSUOBJVSOGMEJV-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.46
Rot. Bonds2

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

5-(1-aminopropyl)-3-methyl-1H-pyridine-2-thione (PubChem CID 102544993) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 5-(1-aminopropyl)-3-methyl-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-(1-aminopropyl)-3-methyl-1H-pyridine-2-thione
PubChem CID102544993
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name5-(1-aminopropyl)-3-methyl-1H-pyridine-2-thione
SMILESCCC(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)
InChIKeyOSUOBJVSOGMEJV-UHFFFAOYSA-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

4-(1-aminopropyl)-1H-pyrrol-2-amine
CID 130002522
5-[(S)-amino(phenyl)methyl]-3-methyl-1H-pyridine-2-thione
CID 124501585
(1S)-1-(5-methylsulfanyl-1H-pyrrol-3-yl)propan-1-amine;hydrochloride
CID 141264531
5-amino-3-methyl-1H-pyridine-2-thione
CID 62476746
5-(1,2-diaminoethyl)-3-methyl-1H-pyridin-2-one
CID 55293763
5-(1-aminobut-3-enyl)-3-methyl-1H-pyridin-2-one
CID 55293497
(1R)-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine;hydrochloride
CID 171211620
(1S)-1-(4-iodo-3-methylphenyl)propan-1-amine
CID 130664699
1-(4-chloro-3-methylphenyl)propan-1-amine
CID 15594744
3-(1-aminopropyl)-4-methylaniline
CID 130000361
(1S)-1-(2,6-dimethyl-4-pyridinyl)propan-1-amine
CID 107504745
(1R)-1-(2-methyl-5-propan-2-ylphenyl)propan-1-amine
CID 55296635

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminopropyl)-3-methyl-1H-pyridine-2-thione?
The IUPAC name of 5-(1-aminopropyl)-3-methyl-1H-pyridine-2-thione (CID 102544993) is 5-(1-aminopropyl)-3-methyl-1H-pyridine-2-thione.
What is the SMILES notation for 5-(1-aminopropyl)-3-methyl-1H-pyridine-2-thione?
The canonical SMILES for 5-(1-aminopropyl)-3-methyl-1H-pyridine-2-thione is CCC(N)c1c[nH]c(=S)c(C)c1.
What is the InChIKey of 5-(1-aminopropyl)-3-methyl-1H-pyridine-2-thione?
The InChIKey is OSUOBJVSOGMEJV-UHFFFAOYSA-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).
What are the key properties of 5-(1-aminopropyl)-3-methyl-1H-pyridine-2-thione?
5-(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-(1-aminopropyl)-3-methyl-1H-pyridine-2-thione is sourced from PubChem (CID 102544993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).