(1S)-1-[5-(4-methylsulfonylphenyl)sulfanyl-2-pyridinyl]propan-1-amine

C15H18N2O2S2 — CID 103938208

IUPAC(1S)-1-[5-(4-methylsulfonylphenyl)sulfanyl-2-pyridinyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(Sc2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C15H18N2O2S2/c1-3-14(16)15-9-6-12(10-17-15)20-11-4-7-13(8-5-11)21(2,18)19/h4-10,14H,3,16H2,1-2H3/t14-/m0/s1
InChIKeyFVOHNQAVQTYNIW-AWEZNQCLSA-N
MW322.46 g/mol
LogP3.05
Rot. Bonds5

About (1S)-1-[5-(4-methylsulfonylphenyl)sulfanyl-2-pyridinyl]propan-1-amine

(1S)-1-[5-(4-methylsulfonylphenyl)sulfanyl-2-pyridinyl]propan-1-amine (PubChem CID 103938208) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is (1S)-1-[5-(4-methylsulfonylphenyl)sulfanyl-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[5-(4-methylsulfonylphenyl)sulfanyl-2-pyridinyl]propan-1-amine
PubChem CID103938208
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC Name(1S)-1-[5-(4-methylsulfonylphenyl)sulfanyl-2-pyridinyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(Sc2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C15H18N2O2S2/c1-3-14(16)15-9-6-12(10-17-15)20-11-4-7-13(8-5-11)21(2,18)19/h4-10,14H,3,16H2,1-2H3/t14-/m0/s1
InChIKeyFVOHNQAVQTYNIW-AWEZNQCLSA-N
XLogP3.05
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(4-methylsulfonylphenyl)sulfanyl-2-pyridinyl]propan-1-amine?
The IUPAC name of (1S)-1-[5-(4-methylsulfonylphenyl)sulfanyl-2-pyridinyl]propan-1-amine (CID 103938208) is (1S)-1-[5-(4-methylsulfonylphenyl)sulfanyl-2-pyridinyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[5-(4-methylsulfonylphenyl)sulfanyl-2-pyridinyl]propan-1-amine?
The canonical SMILES for (1S)-1-[5-(4-methylsulfonylphenyl)sulfanyl-2-pyridinyl]propan-1-amine is CC[C@H](N)c1ccc(Sc2ccc(S(C)(=O)=O)cc2)cn1.
What is the InChIKey of (1S)-1-[5-(4-methylsulfonylphenyl)sulfanyl-2-pyridinyl]propan-1-amine?
The InChIKey is FVOHNQAVQTYNIW-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-3-14(16)15-9-6-12(10-17-15)20-11-4-7-13(8-5-11)21(2,18)19/h4-10,14H,3,16H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-1-[5-(4-methylsulfonylphenyl)sulfanyl-2-pyridinyl]propan-1-amine?
(1S)-1-[5-(4-methylsulfonylphenyl)sulfanyl-2-pyridinyl]propan-1-amine has a molecular weight of 322.46 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(4-methylsulfonylphenyl)sulfanyl-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 103938208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).