(1S)-1-(6-benzylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine

C16H20N2S — CID 124502443

IUPAC(1S)-1-(6-benzylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine
SMILESCC[C@H](N)c1ccc(SCc2ccccc2)nc1C
InChIInChI=1S/C16H20N2S/c1-3-15(17)14-9-10-16(18-12(14)2)19-11-13-7-5-4-6-8-13/h4-10,15H,3,11,17H2,1-2H3/t15-/m0/s1
InChIKeyAGFHLGOGYFBHTC-HNNXBMFYSA-N
MW272.42 g/mol
LogP4.09
Rot. Bonds5

About (1S)-1-(6-benzylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine

(1S)-1-(6-benzylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine (PubChem CID 124502443) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is (1S)-1-(6-benzylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(6-benzylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine
PubChem CID124502443
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name(1S)-1-(6-benzylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine
SMILESCC[C@H](N)c1ccc(SCc2ccccc2)nc1C
InChIInChI=1S/C16H20N2S/c1-3-15(17)14-9-10-16(18-12(14)2)19-11-13-7-5-4-6-8-13/h4-10,15H,3,11,17H2,1-2H3/t15-/m0/s1
InChIKeyAGFHLGOGYFBHTC-HNNXBMFYSA-N
XLogP4.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(6-benzylsulfanyl-3-pyridinyl)propan-1-amine
CID 124502892
(1S)-1-(2-benzylsulfanylphenyl)propan-1-amine
CID 103959471
(6-benzylsulfanyl-2-methyl-3-pyridinyl)methanamine
CID 102546182
5-(1-aminopropyl)-N-benzyl-N,6-dimethylpyridin-2-amine
CID 102546157
1-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine
CID 102546442
N-[(6-benzylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine
CID 131847143
1-(6-benzylsulfanyl-4-methyl-3-pyridinyl)ethanamine
CID 102545480
2-benzylsulfanyl-4,6-dimethylpyrimidin-5-ol
CID 14884312
6-benzylsulfanyl-2-chloropyridin-3-amine
CID 177315532
1-(6-benzylsulfanyl-3-pyridinyl)propan-2-amine
CID 80651207
4-benzylsulfanyl-N-ethyl-6-methylpyrimidin-2-amine
CID 80884832
5-[(1S)-1-aminopropyl]-6-methyl-N-propan-2-ylpyridin-2-amine
CID 124502224

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-benzylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine?
The IUPAC name of (1S)-1-(6-benzylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine (CID 124502443) is (1S)-1-(6-benzylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine.
What is the SMILES notation for (1S)-1-(6-benzylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine?
The canonical SMILES for (1S)-1-(6-benzylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine is CC[C@H](N)c1ccc(SCc2ccccc2)nc1C.
What is the InChIKey of (1S)-1-(6-benzylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine?
The InChIKey is AGFHLGOGYFBHTC-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-3-15(17)14-9-10-16(18-12(14)2)19-11-13-7-5-4-6-8-13/h4-10,15H,3,11,17H2,1-2H3/t15-/m0/s1.
What are the key properties of (1S)-1-(6-benzylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine?
(1S)-1-(6-benzylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine has a molecular weight of 272.42 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-benzylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 124502443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).