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

C14H28N2O2S — CID 105011006

IUPAC1-(1-methylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
SMILESCC1(C(N)CC2CCCN(S(C)(=O)=O)C2)CCCC1
InChIInChI=1S/C14H28N2O2S/c1-14(7-3-4-8-14)13(15)10-12-6-5-9-16(11-12)19(2,17)18/h12-13H,3-11,15H2,1-2H3
InChIKeyMOESSXAHQUAKSB-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.96
Rot. Bonds4

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

1-(1-methylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine (PubChem CID 105011006) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-(1-methylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1-methylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
PubChem CID105011006
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name1-(1-methylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
SMILESCC1(C(N)CC2CCCN(S(C)(=O)=O)C2)CCCC1
InChIInChI=1S/C14H28N2O2S/c1-14(7-3-4-8-14)13(15)10-12-6-5-9-16(11-12)19(2,17)18/h12-13H,3-11,15H2,1-2H3
InChIKeyMOESSXAHQUAKSB-UHFFFAOYSA-N
XLogP1.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.96
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-(2-methyloxan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 80685304
[1-(1-ethylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322790
5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine
CID 79953434
1-(1-methylsulfonylpiperidin-3-yl)-3-(thian-4-yl)propan-2-amine
CID 105166960
2-(1-methylsulfonylpiperidin-3-yl)-1-pyrimidin-2-ylethanamine
CID 79610285
ethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate
CID 79609481
1-(4-ethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79610293
1-(1,1-dioxothiolan-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79622150
2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612122
2-(aminomethyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol
CID 79623080

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The IUPAC name of 1-(1-methylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine (CID 105011006) is 1-(1-methylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine.
What is the SMILES notation for 1-(1-methylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The canonical SMILES for 1-(1-methylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine is CC1(C(N)CC2CCCN(S(C)(=O)=O)C2)CCCC1.
What is the InChIKey of 1-(1-methylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The InChIKey is MOESSXAHQUAKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-14(7-3-4-8-14)13(15)10-12-6-5-9-16(11-12)19(2,17)18/h12-13H,3-11,15H2,1-2H3.
What are the key properties of 1-(1-methylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
1-(1-methylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine has a molecular weight of 288.46 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 105011006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).