2-[(1-methylsulfonylpiperidin-3-yl)methylsulfinyl]ethanamine

C9H20N2O3S2 — CID 81175130

IUPAC2-[(1-methylsulfonylpiperidin-3-yl)methylsulfinyl]ethanamine
SMILESCS(=O)(=O)N1CCCC(CS(=O)CCN)C1
InChIInChI=1S/C9H20N2O3S2/c1-16(13,14)11-5-2-3-9(7-11)8-15(12)6-4-10/h9H,2-8,10H2,1H3
InChIKeyCGLVUJINLCUJFS-UHFFFAOYSA-N
MW268.40 g/mol
LogP-0.63
Rot. Bonds5

About 2-[(1-methylsulfonylpiperidin-3-yl)methylsulfinyl]ethanamine

2-[(1-methylsulfonylpiperidin-3-yl)methylsulfinyl]ethanamine (PubChem CID 81175130) has the molecular formula C9H20N2O3S2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[(1-methylsulfonylpiperidin-3-yl)methylsulfinyl]ethanamine.

Molecular Properties

Compound Name2-[(1-methylsulfonylpiperidin-3-yl)methylsulfinyl]ethanamine
PubChem CID81175130
Molecular FormulaC9H20N2O3S2
Molecular Weight268.40 g/mol
Exact Mass268.09
IUPAC Name2-[(1-methylsulfonylpiperidin-3-yl)methylsulfinyl]ethanamine
SMILESCS(=O)(=O)N1CCCC(CS(=O)CCN)C1
InChIInChI=1S/C9H20N2O3S2/c1-16(13,14)11-5-2-3-9(7-11)8-15(12)6-4-10/h9H,2-8,10H2,1H3
InChIKeyCGLVUJINLCUJFS-UHFFFAOYSA-N
XLogP-0.63
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methylsulfonylpiperidin-3-yl)methylsulfinyl]butan-2-amine
CID 81194747
2-(cyclohexylmethylsulfinyl)ethanamine
CID 58684182
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
1-[1-(aminomethyl)cyclobutyl]-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 116600281
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine
CID 79605027
2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine
CID 81014911
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918136
2-fluoro-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
CID 112565048
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119908997
1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609568
2-(aminomethyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol
CID 79623080

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylsulfonylpiperidin-3-yl)methylsulfinyl]ethanamine?
The IUPAC name of 2-[(1-methylsulfonylpiperidin-3-yl)methylsulfinyl]ethanamine (CID 81175130) is 2-[(1-methylsulfonylpiperidin-3-yl)methylsulfinyl]ethanamine.
What is the SMILES notation for 2-[(1-methylsulfonylpiperidin-3-yl)methylsulfinyl]ethanamine?
The canonical SMILES for 2-[(1-methylsulfonylpiperidin-3-yl)methylsulfinyl]ethanamine is CS(=O)(=O)N1CCCC(CS(=O)CCN)C1.
What is the InChIKey of 2-[(1-methylsulfonylpiperidin-3-yl)methylsulfinyl]ethanamine?
The InChIKey is CGLVUJINLCUJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S2/c1-16(13,14)11-5-2-3-9(7-11)8-15(12)6-4-10/h9H,2-8,10H2,1H3.
What are the key properties of 2-[(1-methylsulfonylpiperidin-3-yl)methylsulfinyl]ethanamine?
2-[(1-methylsulfonylpiperidin-3-yl)methylsulfinyl]ethanamine has a molecular weight of 268.40 g/mol, XLogP of -0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylsulfonylpiperidin-3-yl)methylsulfinyl]ethanamine is sourced from PubChem (CID 81175130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).