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

C15H18N2S — CID 80651207

IUPAC1-(6-benzylsulfanyl-3-pyridinyl)propan-2-amine
SMILESCC(N)Cc1ccc(SCc2ccccc2)nc1
InChIInChI=1S/C15H18N2S/c1-12(16)9-14-7-8-15(17-10-14)18-11-13-5-3-2-4-6-13/h2-8,10,12H,9,11,16H2,1H3
InChIKeyCWGVMQHPLFOPNI-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.26
Rot. Bonds5

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

1-(6-benzylsulfanyl-3-pyridinyl)propan-2-amine (PubChem CID 80651207) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-(6-benzylsulfanyl-3-pyridinyl)propan-2-amine.

Molecular Properties

Compound Name1-(6-benzylsulfanyl-3-pyridinyl)propan-2-amine
PubChem CID80651207
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name1-(6-benzylsulfanyl-3-pyridinyl)propan-2-amine
SMILESCC(N)Cc1ccc(SCc2ccccc2)nc1
InChIInChI=1S/C15H18N2S/c1-12(16)9-14-7-8-15(17-10-14)18-11-13-5-3-2-4-6-13/h2-8,10,12H,9,11,16H2,1H3
InChIKeyCWGVMQHPLFOPNI-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
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
1-[6-(2-methylphenyl)sulfanyl-3-pyridinyl]propan-2-amine
CID 80651384
2-(6-benzylsulfanyl-3-pyridinyl)ethanol
CID 102546728
N-[(6-benzylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 80640209
2-benzylsulfanyl-5-(3-propan-2-ylphenyl)pyridine
CID 59192525
1-(6-benzylsulfanyl-4-methyl-3-pyridinyl)ethanamine
CID 102545480
1-(6-phenylmethoxy-3-pyridinyl)propan-2-amine
CID 71131754
1-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine
CID 80643952
(2R)-1-(2-benzylsulfanylphenyl)propan-2-amine
CID 124557626
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)propan-2-amine
CID 80644829
azane;1-phenylpropan-2-amine
CID 67350534

Frequently Asked Questions

What is the IUPAC name of 1-(6-benzylsulfanyl-3-pyridinyl)propan-2-amine?
The IUPAC name of 1-(6-benzylsulfanyl-3-pyridinyl)propan-2-amine (CID 80651207) is 1-(6-benzylsulfanyl-3-pyridinyl)propan-2-amine.
What is the SMILES notation for 1-(6-benzylsulfanyl-3-pyridinyl)propan-2-amine?
The canonical SMILES for 1-(6-benzylsulfanyl-3-pyridinyl)propan-2-amine is CC(N)Cc1ccc(SCc2ccccc2)nc1.
What is the InChIKey of 1-(6-benzylsulfanyl-3-pyridinyl)propan-2-amine?
The InChIKey is CWGVMQHPLFOPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-12(16)9-14-7-8-15(17-10-14)18-11-13-5-3-2-4-6-13/h2-8,10,12H,9,11,16H2,1H3.
What are the key properties of 1-(6-benzylsulfanyl-3-pyridinyl)propan-2-amine?
1-(6-benzylsulfanyl-3-pyridinyl)propan-2-amine has a molecular weight of 258.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-benzylsulfanyl-3-pyridinyl)propan-2-amine is sourced from PubChem (CID 80651207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).