(1-cyclopentylsulfonyl-4-ethylpiperidin-2-yl)methanamine

C13H26N2O2S — CID 103352691

IUPAC(1-cyclopentylsulfonyl-4-ethylpiperidin-2-yl)methanamine
SMILESCCC1CCN(S(=O)(=O)C2CCCC2)C(CN)C1
InChIInChI=1S/C13H26N2O2S/c1-2-11-7-8-15(12(9-11)10-14)18(16,17)13-5-3-4-6-13/h11-13H,2-10,14H2,1H3
InChIKeyUOZGKFFLHLMVQG-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.71
Rot. Bonds4

About (1-cyclopentylsulfonyl-4-ethylpiperidin-2-yl)methanamine

(1-cyclopentylsulfonyl-4-ethylpiperidin-2-yl)methanamine (PubChem CID 103352691) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is (1-cyclopentylsulfonyl-4-ethylpiperidin-2-yl)methanamine.

Molecular Properties

Compound Name(1-cyclopentylsulfonyl-4-ethylpiperidin-2-yl)methanamine
PubChem CID103352691
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name(1-cyclopentylsulfonyl-4-ethylpiperidin-2-yl)methanamine
SMILESCCC1CCN(S(=O)(=O)C2CCCC2)C(CN)C1
InChIInChI=1S/C13H26N2O2S/c1-2-11-7-8-15(12(9-11)10-14)18(16,17)13-5-3-4-6-13/h11-13H,2-10,14H2,1H3
InChIKeyUOZGKFFLHLMVQG-UHFFFAOYSA-N
XLogP1.71
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-cyclohexylsulfonylpyrrolidin-2-yl)methanamine
CID 63765247
[4-ethyl-1-(4-ethylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 103352699
(1-cycloheptyl-4-ethylpiperidin-2-yl)methanamine
CID 103351990
[1-(2,5-difluorophenyl)sulfonyl-4-ethylpiperidin-2-yl]methanamine
CID 103352759
[1-(2,5-dichlorophenyl)sulfonyl-4-ethylpiperidin-2-yl]methanamine
CID 103352807
(1-cyclopentylsulfonyl-5-methylpyrrolidin-3-yl)methanamine
CID 105361446
2-(aminomethyl)-N-cyclohexyl-4-ethylpiperidine-1-carboxamide
CID 103352591
[4-ethyl-1-(2-propan-2-ylcyclohexyl)piperidin-2-yl]methanamine
CID 103351790
[4-ethyl-1-(2-ethylcyclopentyl)piperidin-2-yl]methanamine
CID 103351794
[4-ethyl-1-(2-methylcyclopentyl)piperidin-2-yl]methanamine
CID 103351783
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butan-1-one
CID 103352029
[3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonylpiperidin-1-yl]-cyclopentylmethanone
CID 120876158

Frequently Asked Questions

What is the IUPAC name of (1-cyclopentylsulfonyl-4-ethylpiperidin-2-yl)methanamine?
The IUPAC name of (1-cyclopentylsulfonyl-4-ethylpiperidin-2-yl)methanamine (CID 103352691) is (1-cyclopentylsulfonyl-4-ethylpiperidin-2-yl)methanamine.
What is the SMILES notation for (1-cyclopentylsulfonyl-4-ethylpiperidin-2-yl)methanamine?
The canonical SMILES for (1-cyclopentylsulfonyl-4-ethylpiperidin-2-yl)methanamine is CCC1CCN(S(=O)(=O)C2CCCC2)C(CN)C1.
What is the InChIKey of (1-cyclopentylsulfonyl-4-ethylpiperidin-2-yl)methanamine?
The InChIKey is UOZGKFFLHLMVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-2-11-7-8-15(12(9-11)10-14)18(16,17)13-5-3-4-6-13/h11-13H,2-10,14H2,1H3.
What are the key properties of (1-cyclopentylsulfonyl-4-ethylpiperidin-2-yl)methanamine?
(1-cyclopentylsulfonyl-4-ethylpiperidin-2-yl)methanamine has a molecular weight of 274.43 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentylsulfonyl-4-ethylpiperidin-2-yl)methanamine is sourced from PubChem (CID 103352691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).