1-(4-ethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine

C16H32N2O2S — CID 79610293

IUPAC1-(4-ethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
SMILESCCC1CCC(C(N)CC2CCCN(S(C)(=O)=O)C2)CC1
InChIInChI=1S/C16H32N2O2S/c1-3-13-6-8-15(9-7-13)16(17)11-14-5-4-10-18(12-14)21(2,19)20/h13-16H,3-12,17H2,1-2H3
InChIKeySDCXWKMPZMRMDQ-UHFFFAOYSA-N
MW316.51 g/mol
LogP2.59
Rot. Bonds5

About 1-(4-ethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine

1-(4-ethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine (PubChem CID 79610293) has the molecular formula C16H32N2O2S and a molecular weight of 316.51 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
PubChem CID79610293
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC Name1-(4-ethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
SMILESCCC1CCC(C(N)CC2CCCN(S(C)(=O)=O)C2)CC1
InChIInChI=1S/C16H32N2O2S/c1-3-13-6-8-15(9-7-13)16(17)11-14-5-4-10-18(12-14)21(2,19)20/h13-16H,3-12,17H2,1-2H3
InChIKeySDCXWKMPZMRMDQ-UHFFFAOYSA-N
XLogP2.59
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609568
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
2-cyclohexyl-1-(4-ethylcyclohexyl)ethanamine
CID 65394351
1-(5-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011041
ethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate
CID 79609481
ethyl 2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanoate
CID 79611825
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The IUPAC name of 1-(4-ethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine (CID 79610293) is 1-(4-ethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine is CCC1CCC(C(N)CC2CCCN(S(C)(=O)=O)C2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The InChIKey is SDCXWKMPZMRMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-3-13-6-8-15(9-7-13)16(17)11-14-5-4-10-18(12-14)21(2,19)20/h13-16H,3-12,17H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
1-(4-ethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine has a molecular weight of 316.51 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 79610293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).