N-[(6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine

C10H16N2S — CID 80651243

IUPACN-[(6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(SC)nc1
InChIInChI=1S/C10H16N2S/c1-3-6-11-7-9-4-5-10(13-2)12-8-9/h4-5,8,11H,3,6-7H2,1-2H3
InChIKeyJMVUNMAZBMONBD-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.30
Rot. Bonds5

About N-[(6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine

N-[(6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 80651243) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is N-[(6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine
PubChem CID80651243
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC NameN-[(6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(SC)nc1
InChIInChI=1S/C10H16N2S/c1-3-6-11-7-9-4-5-10(13-2)12-8-9/h4-5,8,11H,3,6-7H2,1-2H3
InChIKeyJMVUNMAZBMONBD-UHFFFAOYSA-N
XLogP2.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-(4-fluorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
CID 80639944
N-[[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
CID 115383866
N-[[6-(3-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
CID 80650829
2-methyl-3-[[5-(propylaminomethyl)-2-pyridinyl]sulfanyl]propan-1-ol
CID 80651178
N-[[6-(2,5-dichlorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
CID 80640608
4-ethyl-3-[[5-(propylaminomethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-one
CID 80651650
N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine
CID 60976157
N-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62548588
tert-butyl N-[(6-methylsulfanyl-3-pyridinyl)methyl]carbamate
CID 102546552
N-[[6-(2,5-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 63273316
N-(4-fluorophenyl)-N-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 62293723
N-[(2-propylpyrimidin-5-yl)methyl]propan-1-amine
CID 62757310

Frequently Asked Questions

What is the IUPAC name of N-[(6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine (CID 80651243) is N-[(6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine is CCCNCc1ccc(SC)nc1.
What is the InChIKey of N-[(6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is JMVUNMAZBMONBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-3-6-11-7-9-4-5-10(13-2)12-8-9/h4-5,8,11H,3,6-7H2,1-2H3.
What are the key properties of N-[(6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine?
N-[(6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 196.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 80651243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).