1-(4-methylsulfonylphenyl)sulfanyl-1-pyridin-3-ylpropan-2-amine

C15H18N2O2S2 — CID 63238084

IUPAC1-(4-methylsulfonylphenyl)sulfanyl-1-pyridin-3-ylpropan-2-amine
SMILESCC(N)C(Sc1ccc(S(C)(=O)=O)cc1)c1cccnc1
InChIInChI=1S/C15H18N2O2S2/c1-11(16)15(12-4-3-9-17-10-12)20-13-5-7-14(8-6-13)21(2,18)19/h3-11,15H,16H2,1-2H3
InChIKeyOWJNKUNZDVYABU-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.67
Rot. Bonds5

About 1-(4-methylsulfonylphenyl)sulfanyl-1-pyridin-3-ylpropan-2-amine

1-(4-methylsulfonylphenyl)sulfanyl-1-pyridin-3-ylpropan-2-amine (PubChem CID 63238084) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)sulfanyl-1-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)sulfanyl-1-pyridin-3-ylpropan-2-amine
PubChem CID63238084
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC Name1-(4-methylsulfonylphenyl)sulfanyl-1-pyridin-3-ylpropan-2-amine
SMILESCC(N)C(Sc1ccc(S(C)(=O)=O)cc1)c1cccnc1
InChIInChI=1S/C15H18N2O2S2/c1-11(16)15(12-4-3-9-17-10-12)20-13-5-7-14(8-6-13)21(2,18)19/h3-11,15H,16H2,1-2H3
InChIKeyOWJNKUNZDVYABU-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylsulfonylphenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine
CID 63237953
3-(2-amino-1-pyridin-3-ylpropyl)sulfanylpropan-1-ol
CID 66114950
3-[1-(4-methylsulfonylphenyl)sulfanylethyl]aniline
CID 63238126
1-(2-methylbutylsulfanyl)-1-pyridin-3-ylpropan-2-amine
CID 107748954
3-(2-amino-1-pyridin-3-ylpropyl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 62882139
(1R)-1-[4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine
CID 78939076
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
1-[(4-methylsulfonylphenyl)methyl]-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 94028539
3-methylsulfonyl-1-pyridin-3-ylpropan-1-amine
CID 62602759
3-(dipyridin-3-ylmethoxy)-2-(4-methylsulfonylphenyl)pyridine
CID 24760483
[1-(4-methylsulfonylphenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105333643
(4-methyl-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine
CID 105006479

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)sulfanyl-1-pyridin-3-ylpropan-2-amine?
The IUPAC name of 1-(4-methylsulfonylphenyl)sulfanyl-1-pyridin-3-ylpropan-2-amine (CID 63238084) is 1-(4-methylsulfonylphenyl)sulfanyl-1-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)sulfanyl-1-pyridin-3-ylpropan-2-amine?
The canonical SMILES for 1-(4-methylsulfonylphenyl)sulfanyl-1-pyridin-3-ylpropan-2-amine is CC(N)C(Sc1ccc(S(C)(=O)=O)cc1)c1cccnc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)sulfanyl-1-pyridin-3-ylpropan-2-amine?
The InChIKey is OWJNKUNZDVYABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-11(16)15(12-4-3-9-17-10-12)20-13-5-7-14(8-6-13)21(2,18)19/h3-11,15H,16H2,1-2H3.
What are the key properties of 1-(4-methylsulfonylphenyl)sulfanyl-1-pyridin-3-ylpropan-2-amine?
1-(4-methylsulfonylphenyl)sulfanyl-1-pyridin-3-ylpropan-2-amine has a molecular weight of 322.46 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)sulfanyl-1-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 63238084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).