2-(2-methylsulfonylethylsulfanyl)-2-pyridin-4-ylethanamine

C10H16N2O2S2 — CID 63659205

IUPAC2-(2-methylsulfonylethylsulfanyl)-2-pyridin-4-ylethanamine
SMILESCS(=O)(=O)CCSC(CN)c1ccncc1
InChIInChI=1S/C10H16N2O2S2/c1-16(13,14)7-6-15-10(8-11)9-2-4-12-5-3-9/h2-5,10H,6-8,11H2,1H3
InChIKeySLQBQVDLGSPVLG-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.86
Rot. Bonds6

About 2-(2-methylsulfonylethylsulfanyl)-2-pyridin-4-ylethanamine

2-(2-methylsulfonylethylsulfanyl)-2-pyridin-4-ylethanamine (PubChem CID 63659205) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(2-methylsulfonylethylsulfanyl)-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name2-(2-methylsulfonylethylsulfanyl)-2-pyridin-4-ylethanamine
PubChem CID63659205
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC Name2-(2-methylsulfonylethylsulfanyl)-2-pyridin-4-ylethanamine
SMILESCS(=O)(=O)CCSC(CN)c1ccncc1
InChIInChI=1S/C10H16N2O2S2/c1-16(13,14)7-6-15-10(8-11)9-2-4-12-5-3-9/h2-5,10H,6-8,11H2,1H3
InChIKeySLQBQVDLGSPVLG-UHFFFAOYSA-N
XLogP0.86
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methylsulfonylethylsulfanyl)pyridin-3-amine
CID 60917186
2-(2-methylsulfonylethylsulfanyl)propan-1-amine
CID 63659927
2-cyclopentylsulfanyl-2-pyridin-4-ylethanamine
CID 63115195
3-methylsulfonyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81410572
N-methyl-4-methylsulfonyl-1-pyridin-4-ylbutan-1-amine
CID 63192032
2-(2-methylsulfonylethylsulfanyl)-2-phenylacetohydrazide
CID 63660328
1-[(1S)-1-(2-methylsulfonylethylsulfanyl)ethyl]-4-(trifluoromethyl)benzene
CID 95315641
1-(4-methylphenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine
CID 63658656
1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)propan-1-amine
CID 64609842
2-amino-N-methyl-4-methylsulfonyl-N-(1-pyridin-4-ylethyl)butanamide
CID 60962966
1-(4-chlorophenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine
CID 63659724
[2-(2-methylsulfonylethylsulfanyl)-4-pyridinyl]methanamine
CID 63658863

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethylsulfanyl)-2-pyridin-4-ylethanamine?
The IUPAC name of 2-(2-methylsulfonylethylsulfanyl)-2-pyridin-4-ylethanamine (CID 63659205) is 2-(2-methylsulfonylethylsulfanyl)-2-pyridin-4-ylethanamine.
What is the SMILES notation for 2-(2-methylsulfonylethylsulfanyl)-2-pyridin-4-ylethanamine?
The canonical SMILES for 2-(2-methylsulfonylethylsulfanyl)-2-pyridin-4-ylethanamine is CS(=O)(=O)CCSC(CN)c1ccncc1.
What is the InChIKey of 2-(2-methylsulfonylethylsulfanyl)-2-pyridin-4-ylethanamine?
The InChIKey is SLQBQVDLGSPVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-16(13,14)7-6-15-10(8-11)9-2-4-12-5-3-9/h2-5,10H,6-8,11H2,1H3.
What are the key properties of 2-(2-methylsulfonylethylsulfanyl)-2-pyridin-4-ylethanamine?
2-(2-methylsulfonylethylsulfanyl)-2-pyridin-4-ylethanamine has a molecular weight of 260.38 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethylsulfanyl)-2-pyridin-4-ylethanamine is sourced from PubChem (CID 63659205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).