N-methylsulfanylpyridin-3-amine

C6H8N2S — CID 126541026

IUPACN-methylsulfanylpyridin-3-amine
SMILESCSNc1cccnc1
InChIInChI=1S/C6H8N2S/c1-9-8-6-3-2-4-7-5-6/h2-5,8H,1H3
InChIKeyPBAIUZPSLRZHPJ-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.77
Rot. Bonds2

About N-methylsulfanylpyridin-3-amine

N-methylsulfanylpyridin-3-amine (PubChem CID 126541026) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is N-methylsulfanylpyridin-3-amine.

Molecular Properties

Compound NameN-methylsulfanylpyridin-3-amine
PubChem CID126541026
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC NameN-methylsulfanylpyridin-3-amine
SMILESCSNc1cccnc1
InChIInChI=1S/C6H8N2S/c1-9-8-6-3-2-4-7-5-6/h2-5,8H,1H3
InChIKeyPBAIUZPSLRZHPJ-UHFFFAOYSA-N
XLogP1.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methylpyridin-3-amine
CID 91430147
azane;N-methylpyridin-3-amine
CID 70247108
(pyridin-3-ylamino)mercury(1+)
CID 16685218
N-fluoropyridin-3-amine
CID 141274626
N-bromopyridin-3-amine
CID 87128938
N-methyl-N'-pyridin-3-ylmethanediamine
CID 115226589
ethane;N-[methyl(propyl)phosphanyl]sulfanylpyridin-3-amine
CID 142070609
N-(3-methylbut-2-en-2-yl)pyridin-3-amine
CID 58929048
2-(pyridin-3-ylamino)acetonitrile
CID 24972763
N-pyridin-3-ylpyrimidin-2-amine
CID 11593513
1-bromo-2-pyridin-3-ylhydrazine
CID 142776017
molecular hydrogen;1-(pyridin-3-ylamino)ethanethiol
CID 143056439

Frequently Asked Questions

What is the IUPAC name of N-methylsulfanylpyridin-3-amine?
The IUPAC name of N-methylsulfanylpyridin-3-amine (CID 126541026) is N-methylsulfanylpyridin-3-amine.
What is the SMILES notation for N-methylsulfanylpyridin-3-amine?
The canonical SMILES for N-methylsulfanylpyridin-3-amine is CSNc1cccnc1.
What is the InChIKey of N-methylsulfanylpyridin-3-amine?
The InChIKey is PBAIUZPSLRZHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c1-9-8-6-3-2-4-7-5-6/h2-5,8H,1H3.
What are the key properties of N-methylsulfanylpyridin-3-amine?
N-methylsulfanylpyridin-3-amine has a molecular weight of 140.21 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfanylpyridin-3-amine is sourced from PubChem (CID 126541026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).