(6-benzylsulfanyl-2-methyl-3-pyridinyl)methanamine

C14H16N2S — CID 102546182

IUPAC(6-benzylsulfanyl-2-methyl-3-pyridinyl)methanamine
SMILESCc1nc(SCc2ccccc2)ccc1CN
InChIInChI=1S/C14H16N2S/c1-11-13(9-15)7-8-14(16-11)17-10-12-5-3-2-4-6-12/h2-8H,9-10,15H2,1H3
InChIKeyRRSFGVNPOZKOCZ-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.14
Rot. Bonds4

About (6-benzylsulfanyl-2-methyl-3-pyridinyl)methanamine

(6-benzylsulfanyl-2-methyl-3-pyridinyl)methanamine (PubChem CID 102546182) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is (6-benzylsulfanyl-2-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(6-benzylsulfanyl-2-methyl-3-pyridinyl)methanamine
PubChem CID102546182
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name(6-benzylsulfanyl-2-methyl-3-pyridinyl)methanamine
SMILESCc1nc(SCc2ccccc2)ccc1CN
InChIInChI=1S/C14H16N2S/c1-11-13(9-15)7-8-14(16-11)17-10-12-5-3-2-4-6-12/h2-8H,9-10,15H2,1H3
InChIKeyRRSFGVNPOZKOCZ-UHFFFAOYSA-N
XLogP3.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(6-benzylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine
CID 124502443
(2-benzylsulfanylquinolin-4-yl)methanamine
CID 63885681
N-[(6-benzylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine
CID 131847143
(2-methyl-6-phenylmethoxy-3-pyridinyl)methanamine
CID 79885210
2-benzylsulfanyl-4,6-dimethylpyrimidin-5-ol
CID 14884312
6-benzylsulfanyl-2-chloropyridin-3-amine
CID 177315532
(5-benzylsulfanyl-1,3-dimethylpyrazol-4-yl)methanamine
CID 63758578
4-benzylsulfanyl-1-methylimidazole
CID 19810957
2-benzylsulfanyl-5-methylpyridin-4-amine
CID 83269253
2-benzylsulfanyl-4,6-dimethylpyrimidine
CID 716895
4-benzylsulfanyl-2-chloropyrimidine
CID 51033897
3-benzylsulfanyl-6-methoxypyridazine
CID 86259421

Frequently Asked Questions

What is the IUPAC name of (6-benzylsulfanyl-2-methyl-3-pyridinyl)methanamine?
The IUPAC name of (6-benzylsulfanyl-2-methyl-3-pyridinyl)methanamine (CID 102546182) is (6-benzylsulfanyl-2-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for (6-benzylsulfanyl-2-methyl-3-pyridinyl)methanamine?
The canonical SMILES for (6-benzylsulfanyl-2-methyl-3-pyridinyl)methanamine is Cc1nc(SCc2ccccc2)ccc1CN.
What is the InChIKey of (6-benzylsulfanyl-2-methyl-3-pyridinyl)methanamine?
The InChIKey is RRSFGVNPOZKOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-11-13(9-15)7-8-14(16-11)17-10-12-5-3-2-4-6-12/h2-8H,9-10,15H2,1H3.
What are the key properties of (6-benzylsulfanyl-2-methyl-3-pyridinyl)methanamine?
(6-benzylsulfanyl-2-methyl-3-pyridinyl)methanamine has a molecular weight of 244.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-benzylsulfanyl-2-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 102546182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).