N-[(5-methyl-3-pyridinyl)methyl]thian-4-amine

C12H18N2S — CID 103864382

IUPACN-[(5-methyl-3-pyridinyl)methyl]thian-4-amine
SMILESCc1cncc(CNC2CCSCC2)c1
InChIInChI=1S/C12H18N2S/c1-10-6-11(8-13-7-10)9-14-12-2-4-15-5-3-12/h6-8,12,14H,2-5,9H2,1H3
InChIKeyQOWFOQBBRQLWRX-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.38
Rot. Bonds3

About N-[(5-methyl-3-pyridinyl)methyl]thian-4-amine

N-[(5-methyl-3-pyridinyl)methyl]thian-4-amine (PubChem CID 103864382) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is N-[(5-methyl-3-pyridinyl)methyl]thian-4-amine.

Molecular Properties

Compound NameN-[(5-methyl-3-pyridinyl)methyl]thian-4-amine
PubChem CID103864382
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC NameN-[(5-methyl-3-pyridinyl)methyl]thian-4-amine
SMILESCc1cncc(CNC2CCSCC2)c1
InChIInChI=1S/C12H18N2S/c1-10-6-11(8-13-7-10)9-14-12-2-4-15-5-3-12/h6-8,12,14H,2-5,9H2,1H3
InChIKeyQOWFOQBBRQLWRX-UHFFFAOYSA-N
XLogP2.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[(5-methyl-3-pyridinyl)methyl]azetidin-3-amine
CID 130908640
N-[(5-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107166716
N-(pyridin-3-ylmethyl)thian-4-amine
CID 43394819
2,2-dicyclopropyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880910
2-[(5-methyl-3-pyridinyl)methylamino]cyclohexan-1-ol
CID 102880835
2-chloro-N-[(5-methyl-3-pyridinyl)methyl]cycloheptan-1-amine
CID 102879005
5-[(cyclopropylamino)methyl]pyridin-3-amine
CID 117212683
N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719982
(1S)-1-cyclopentyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880981
(1S)-1-cyclohexyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880979
N-[(5-methyl-3-pyridinyl)methyl]formamide
CID 142430826
N-[(3,5-dimethylphenyl)methyl]cyclobutanamine
CID 62414754

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-3-pyridinyl)methyl]thian-4-amine?
The IUPAC name of N-[(5-methyl-3-pyridinyl)methyl]thian-4-amine (CID 103864382) is N-[(5-methyl-3-pyridinyl)methyl]thian-4-amine.
What is the SMILES notation for N-[(5-methyl-3-pyridinyl)methyl]thian-4-amine?
The canonical SMILES for N-[(5-methyl-3-pyridinyl)methyl]thian-4-amine is Cc1cncc(CNC2CCSCC2)c1.
What is the InChIKey of N-[(5-methyl-3-pyridinyl)methyl]thian-4-amine?
The InChIKey is QOWFOQBBRQLWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-10-6-11(8-13-7-10)9-14-12-2-4-15-5-3-12/h6-8,12,14H,2-5,9H2,1H3.
What are the key properties of N-[(5-methyl-3-pyridinyl)methyl]thian-4-amine?
N-[(5-methyl-3-pyridinyl)methyl]thian-4-amine has a molecular weight of 222.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-3-pyridinyl)methyl]thian-4-amine is sourced from PubChem (CID 103864382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).