1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine

C11H22N2O2S — CID 79609568

IUPAC1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
SMILESCS(=O)(=O)N1CCCC(CC(N)C2CC2)C1
InChIInChI=1S/C11H22N2O2S/c1-16(14,15)13-6-2-3-9(8-13)7-11(12)10-4-5-10/h9-11H,2-8,12H2,1H3
InChIKeyXBOHNUXEHHWQJF-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.79
Rot. Bonds4

About 1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine

1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine (PubChem CID 79609568) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
PubChem CID79609568
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
SMILESCS(=O)(=O)N1CCCC(CC(N)C2CC2)C1
InChIInChI=1S/C11H22N2O2S/c1-16(14,15)13-6-2-3-9(8-13)7-11(12)10-4-5-10/h9-11H,2-8,12H2,1H3
InChIKeyXBOHNUXEHHWQJF-UHFFFAOYSA-N
XLogP0.79
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79610293
1-(4,4-difluorocyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105166994
1-(1,1-dioxothiolan-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79622150
1-(1-methylsulfonylpiperidin-3-yl)-3-(thian-4-yl)propan-2-amine
CID 105166960
1-(5-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011041
1-(3-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011185
N-methyl-1-(4-methylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79612143
1-(1-methylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011006
5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine
CID 79953434
[1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322801
ethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate
CID 79609481
2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612122

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The IUPAC name of 1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine (CID 79609568) is 1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The canonical SMILES for 1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine is CS(=O)(=O)N1CCCC(CC(N)C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The InChIKey is XBOHNUXEHHWQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-16(14,15)13-6-2-3-9(8-13)7-11(12)10-4-5-10/h9-11H,2-8,12H2,1H3.
What are the key properties of 1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine has a molecular weight of 246.38 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 79609568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).