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

C15H18N2S — CID 124502892

IUPAC(1S)-1-(6-benzylsulfanyl-3-pyridinyl)propan-1-amine
SMILESCC[C@H](N)c1ccc(SCc2ccccc2)nc1
InChIInChI=1S/C15H18N2S/c1-2-14(16)13-8-9-15(17-10-13)18-11-12-6-4-3-5-7-12/h3-10,14H,2,11,16H2,1H3/t14-/m0/s1
InChIKeyNCHRGSXLELQBPL-AWEZNQCLSA-N
MW258.39 g/mol
LogP3.78
Rot. Bonds5

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

(1S)-1-(6-benzylsulfanyl-3-pyridinyl)propan-1-amine (PubChem CID 124502892) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is (1S)-1-(6-benzylsulfanyl-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(6-benzylsulfanyl-3-pyridinyl)propan-1-amine
PubChem CID124502892
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name(1S)-1-(6-benzylsulfanyl-3-pyridinyl)propan-1-amine
SMILESCC[C@H](N)c1ccc(SCc2ccccc2)nc1
InChIInChI=1S/C15H18N2S/c1-2-14(16)13-8-9-15(17-10-13)18-11-12-6-4-3-5-7-12/h3-10,14H,2,11,16H2,1H3/t14-/m0/s1
InChIKeyNCHRGSXLELQBPL-AWEZNQCLSA-N
XLogP3.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.78
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
1-(6-benzylsulfanyl-3-pyridinyl)propan-2-amine
CID 80651207
(1S)-1-(2-benzylsulfanylphenyl)propan-1-amine
CID 103959471
1-(6-benzylsulfanyl-4-methyl-3-pyridinyl)ethanamine
CID 102545480
2-(6-benzylsulfanyl-3-pyridinyl)ethanol
CID 102546728
5-[(1S)-1-aminopropyl]pyridin-2-amine
CID 124502752
(1R)-1-(6-chloro-3-pyridinyl)propan-1-amine
CID 55278839
(1S)-1-(4-benzylphenyl)propan-1-amine
CID 79018348
2-benzylsulfanyl-5-(3-propan-2-ylphenyl)pyridine
CID 59192525
N-[(6-benzylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 80640209
2-benzylsulfanyl-5-bromopyridine;5-bromo-2-chloropyridine
CID 160822537
2-benzylsulfanyl-5-methylpyridin-4-amine
CID 83269253

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-benzylsulfanyl-3-pyridinyl)propan-1-amine?
The IUPAC name of (1S)-1-(6-benzylsulfanyl-3-pyridinyl)propan-1-amine (CID 124502892) is (1S)-1-(6-benzylsulfanyl-3-pyridinyl)propan-1-amine.
What is the SMILES notation for (1S)-1-(6-benzylsulfanyl-3-pyridinyl)propan-1-amine?
The canonical SMILES for (1S)-1-(6-benzylsulfanyl-3-pyridinyl)propan-1-amine is CC[C@H](N)c1ccc(SCc2ccccc2)nc1.
What is the InChIKey of (1S)-1-(6-benzylsulfanyl-3-pyridinyl)propan-1-amine?
The InChIKey is NCHRGSXLELQBPL-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N2S/c1-2-14(16)13-8-9-15(17-10-13)18-11-12-6-4-3-5-7-12/h3-10,14H,2,11,16H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-1-(6-benzylsulfanyl-3-pyridinyl)propan-1-amine?
(1S)-1-(6-benzylsulfanyl-3-pyridinyl)propan-1-amine has a molecular weight of 258.39 g/mol, XLogP of 3.78, 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-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 124502892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).