(2S)-3-cyclopentyl-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]propanamide

C17H32N2O3S — CID 96547523

IUPAC(2S)-3-cyclopentyl-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]propanamide
SMILESC[C@@H](CC1CCCC1)C(=O)NC1CCN(CCS(C)(=O)=O)CC1
InChIInChI=1S/C17H32N2O3S/c1-14(13-15-5-3-4-6-15)17(20)18-16-7-9-19(10-8-16)11-12-23(2,21)22/h14-16H,3-13H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyHXGOAMLSKPSGMR-AWEZNQCLSA-N
MW344.52 g/mol
LogP1.83
Rot. Bonds7

About (2S)-3-cyclopentyl-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]propanamide

(2S)-3-cyclopentyl-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]propanamide (PubChem CID 96547523) has the molecular formula C17H32N2O3S and a molecular weight of 344.52 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]propanamide
PubChem CID96547523
Molecular FormulaC17H32N2O3S
Molecular Weight344.52 g/mol
Exact Mass344.21
IUPAC Name(2S)-3-cyclopentyl-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]propanamide
SMILESC[C@@H](CC1CCCC1)C(=O)NC1CCN(CCS(C)(=O)=O)CC1
InChIInChI=1S/C17H32N2O3S/c1-14(13-15-5-3-4-6-15)17(20)18-16-7-9-19(10-8-16)11-12-23(2,21)22/h14-16H,3-13H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyHXGOAMLSKPSGMR-AWEZNQCLSA-N
XLogP1.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopentyl-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]propanamide?
The IUPAC name of (2S)-3-cyclopentyl-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]propanamide (CID 96547523) is (2S)-3-cyclopentyl-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for (2S)-3-cyclopentyl-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]propanamide?
The canonical SMILES for (2S)-3-cyclopentyl-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]propanamide is C[C@@H](CC1CCCC1)C(=O)NC1CCN(CCS(C)(=O)=O)CC1.
What is the InChIKey of (2S)-3-cyclopentyl-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]propanamide?
The InChIKey is HXGOAMLSKPSGMR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H32N2O3S/c1-14(13-15-5-3-4-6-15)17(20)18-16-7-9-19(10-8-16)11-12-23(2,21)22/h14-16H,3-13H2,1-2H3,(H,18,20)/t14-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]propanamide?
(2S)-3-cyclopentyl-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]propanamide has a molecular weight of 344.52 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopentyl-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 96547523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).