N-ethyl-N-methyl-2-[(3S)-3-methylsulfonylpiperidin-1-yl]acetamide

C11H22N2O3S — CID 171359376

IUPACN-ethyl-N-methyl-2-[(3S)-3-methylsulfonylpiperidin-1-yl]acetamide
SMILESCCN(C)C(=O)CN1CCC[C@H](S(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O3S/c1-4-12(2)11(14)9-13-7-5-6-10(8-13)17(3,15)16/h10H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyXHRFOSDGFMPRQL-JTQLQIEISA-N
MW262.37 g/mol
LogP-0.03
Rot. Bonds4

About N-ethyl-N-methyl-2-[(3S)-3-methylsulfonylpiperidin-1-yl]acetamide

N-ethyl-N-methyl-2-[(3S)-3-methylsulfonylpiperidin-1-yl]acetamide (PubChem CID 171359376) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[(3S)-3-methylsulfonylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[(3S)-3-methylsulfonylpiperidin-1-yl]acetamide
PubChem CID171359376
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-ethyl-N-methyl-2-[(3S)-3-methylsulfonylpiperidin-1-yl]acetamide
SMILESCCN(C)C(=O)CN1CCC[C@H](S(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O3S/c1-4-12(2)11(14)9-13-7-5-6-10(8-13)17(3,15)16/h10H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyXHRFOSDGFMPRQL-JTQLQIEISA-N
XLogP-0.03
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[(3S)-3-methylsulfonylpiperidin-1-yl]acetamide?
The IUPAC name of N-ethyl-N-methyl-2-[(3S)-3-methylsulfonylpiperidin-1-yl]acetamide (CID 171359376) is N-ethyl-N-methyl-2-[(3S)-3-methylsulfonylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[(3S)-3-methylsulfonylpiperidin-1-yl]acetamide?
The canonical SMILES for N-ethyl-N-methyl-2-[(3S)-3-methylsulfonylpiperidin-1-yl]acetamide is CCN(C)C(=O)CN1CCC[C@H](S(C)(=O)=O)C1.
What is the InChIKey of N-ethyl-N-methyl-2-[(3S)-3-methylsulfonylpiperidin-1-yl]acetamide?
The InChIKey is XHRFOSDGFMPRQL-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-4-12(2)11(14)9-13-7-5-6-10(8-13)17(3,15)16/h10H,4-9H2,1-3H3/t10-/m0/s1.
What are the key properties of N-ethyl-N-methyl-2-[(3S)-3-methylsulfonylpiperidin-1-yl]acetamide?
N-ethyl-N-methyl-2-[(3S)-3-methylsulfonylpiperidin-1-yl]acetamide has a molecular weight of 262.37 g/mol, XLogP of -0.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[(3S)-3-methylsulfonylpiperidin-1-yl]acetamide is sourced from PubChem (CID 171359376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).