2-(1-butylsulfonylpiperidin-2-yl)ethanamine

C11H24N2O2S — CID 63767348

IUPAC2-(1-butylsulfonylpiperidin-2-yl)ethanamine
SMILESCCCCS(=O)(=O)N1CCCCC1CCN
InChIInChI=1S/C11H24N2O2S/c1-2-3-10-16(14,15)13-9-5-4-6-11(13)7-8-12/h11H,2-10,12H2,1H3
InChIKeySPCLOLHYSNNFMD-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.32
Rot. Bonds6

About 2-(1-butylsulfonylpiperidin-2-yl)ethanamine

2-(1-butylsulfonylpiperidin-2-yl)ethanamine (PubChem CID 63767348) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-(1-butylsulfonylpiperidin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-butylsulfonylpiperidin-2-yl)ethanamine
PubChem CID63767348
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name2-(1-butylsulfonylpiperidin-2-yl)ethanamine
SMILESCCCCS(=O)(=O)N1CCCCC1CCN
InChIInChI=1S/C11H24N2O2S/c1-2-3-10-16(14,15)13-9-5-4-6-11(13)7-8-12/h11H,2-10,12H2,1H3
InChIKeySPCLOLHYSNNFMD-UHFFFAOYSA-N
XLogP1.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-propylpiperidin-1-yl)sulfonylethanamine
CID 83053375
3-(1-propylsulfonylpyrrolidin-2-yl)propan-1-amine
CID 63765660
1-nonylsulfonyl-2-undecylpyrrolidine
CID 59852635
1-(3-chloropropylsulfonyl)-2-ethylazepane
CID 104691218
2-[1-(3-chloropropylsulfonyl)piperidin-2-yl]ethanol
CID 43654461
(1-propylsulfonylpiperidin-2-yl)methanol
CID 43574448
[1-(3-fluoropropylsulfonyl)piperidin-2-yl]methanamine;hydrochloride
CID 119969134
methyl 4-(2-propylpiperidin-1-yl)sulfonylbutanoate
CID 83053832
1-(bromomethylsulfonyl)-2-propylpiperidine
CID 83085891
4-(2-methylpiperidin-1-yl)sulfonylbutan-1-amine
CID 61456479
2-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine
CID 55241014
2-(3-chloropropyl)-1-propylsulfonylpyrrolidine
CID 63400983

Frequently Asked Questions

What is the IUPAC name of 2-(1-butylsulfonylpiperidin-2-yl)ethanamine?
The IUPAC name of 2-(1-butylsulfonylpiperidin-2-yl)ethanamine (CID 63767348) is 2-(1-butylsulfonylpiperidin-2-yl)ethanamine.
What is the SMILES notation for 2-(1-butylsulfonylpiperidin-2-yl)ethanamine?
The canonical SMILES for 2-(1-butylsulfonylpiperidin-2-yl)ethanamine is CCCCS(=O)(=O)N1CCCCC1CCN.
What is the InChIKey of 2-(1-butylsulfonylpiperidin-2-yl)ethanamine?
The InChIKey is SPCLOLHYSNNFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-2-3-10-16(14,15)13-9-5-4-6-11(13)7-8-12/h11H,2-10,12H2,1H3.
What are the key properties of 2-(1-butylsulfonylpiperidin-2-yl)ethanamine?
2-(1-butylsulfonylpiperidin-2-yl)ethanamine has a molecular weight of 248.39 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butylsulfonylpiperidin-2-yl)ethanamine is sourced from PubChem (CID 63767348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).