4-(2-methylsulfonylethylsulfanyl)pyridin-3-amine

C8H12N2O2S2 — CID 60917186

IUPAC4-(2-methylsulfonylethylsulfanyl)pyridin-3-amine
SMILESCS(=O)(=O)CCSc1ccncc1N
InChIInChI=1S/C8H12N2O2S2/c1-14(11,12)5-4-13-8-2-3-10-6-7(8)9/h2-3,6H,4-5,9H2,1H3
InChIKeyDXTFVDILHDYFBG-UHFFFAOYSA-N
MW232.33 g/mol
LogP0.80
Rot. Bonds4

About 4-(2-methylsulfonylethylsulfanyl)pyridin-3-amine

4-(2-methylsulfonylethylsulfanyl)pyridin-3-amine (PubChem CID 60917186) has the molecular formula C8H12N2O2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(2-methylsulfonylethylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(2-methylsulfonylethylsulfanyl)pyridin-3-amine
PubChem CID60917186
Molecular FormulaC8H12N2O2S2
Molecular Weight232.33 g/mol
Exact Mass232.03
IUPAC Name4-(2-methylsulfonylethylsulfanyl)pyridin-3-amine
SMILESCS(=O)(=O)CCSc1ccncc1N
InChIInChI=1S/C8H12N2O2S2/c1-14(11,12)5-4-13-8-2-3-10-6-7(8)9/h2-3,6H,4-5,9H2,1H3
InChIKeyDXTFVDILHDYFBG-UHFFFAOYSA-N
XLogP0.80
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 43300026
4-(2-pyridin-4-ylethylsulfanyl)pyridin-3-amine
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4-pent-3-ynylsulfanylpyridin-3-amine
CID 104808050
4-(2-propoxyethylsulfanyl)pyridin-3-amine
CID 106453318
2-(2-methylsulfonylethylsulfanyl)-2-pyridin-4-ylethanamine
CID 63659205
4-[2-(4-methylphenoxy)ethylsulfanyl]pyridin-3-amine
CID 43299979
4-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridin-3-amine
CID 43299772
3-[(3-amino-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 66103074
2-amino-3-[(3-amino-4-pyridinyl)sulfanyl]propanoic acid
CID 65443798
4-bromo-2-(2-methylsulfonylethylsulfanyl)aniline
CID 65342550
3-methyl-2-(2-methylsulfonylethylsulfanyl)aniline
CID 115551296
4-N-(1-methylsulfonylpropan-2-yl)pyridine-3,4-diamine
CID 64630420

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfonylethylsulfanyl)pyridin-3-amine?
The IUPAC name of 4-(2-methylsulfonylethylsulfanyl)pyridin-3-amine (CID 60917186) is 4-(2-methylsulfonylethylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 4-(2-methylsulfonylethylsulfanyl)pyridin-3-amine?
The canonical SMILES for 4-(2-methylsulfonylethylsulfanyl)pyridin-3-amine is CS(=O)(=O)CCSc1ccncc1N.
What is the InChIKey of 4-(2-methylsulfonylethylsulfanyl)pyridin-3-amine?
The InChIKey is DXTFVDILHDYFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S2/c1-14(11,12)5-4-13-8-2-3-10-6-7(8)9/h2-3,6H,4-5,9H2,1H3.
What are the key properties of 4-(2-methylsulfonylethylsulfanyl)pyridin-3-amine?
4-(2-methylsulfonylethylsulfanyl)pyridin-3-amine has a molecular weight of 232.33 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfonylethylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 60917186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).