(2S)-1-(2-ethoxyethylsulfonyl)piperidine-2-carboxylic acid

C10H19NO5S — CID 66263402

IUPAC(2S)-1-(2-ethoxyethylsulfonyl)piperidine-2-carboxylic acid
SMILESCCOCCS(=O)(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C10H19NO5S/c1-2-16-7-8-17(14,15)11-6-4-3-5-9(11)10(12)13/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyBNMOIBHJFSKBCN-VIFPVBQESA-N
MW265.33 g/mol
LogP0.29
Rot. Bonds6

About (2S)-1-(2-ethoxyethylsulfonyl)piperidine-2-carboxylic acid

(2S)-1-(2-ethoxyethylsulfonyl)piperidine-2-carboxylic acid (PubChem CID 66263402) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is (2S)-1-(2-ethoxyethylsulfonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-ethoxyethylsulfonyl)piperidine-2-carboxylic acid
PubChem CID66263402
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name(2S)-1-(2-ethoxyethylsulfonyl)piperidine-2-carboxylic acid
SMILESCCOCCS(=O)(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C10H19NO5S/c1-2-16-7-8-17(14,15)11-6-4-3-5-9(11)10(12)13/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyBNMOIBHJFSKBCN-VIFPVBQESA-N
XLogP0.29
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-1-(2-ethoxyethylsulfonyl)-2-methylpiperidine-3-carboxylic acid
CID 122105232
1-(2-propan-2-yloxyethylsulfonyl)azepane-2-carboxylic acid
CID 79594113
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
(2R)-1-[2-(2,2,2-trifluoroethoxy)ethylsulfonyl]pyrrolidine-2-carboxylic acid
CID 122069617
(2R)-1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-2-carboxylic acid
CID 79034671
1-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]-N-ethylethanamine
CID 55256858
1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpiperidine
CID 63256330
1-(3-methyl-3-methylsulfonylbutyl)sulfonylpiperidine-2-carboxylic acid
CID 122070160
1-(6-methoxy-6-oxohexyl)sulfonylpiperidine-2-carboxylic acid
CID 122070228
3-(2-ethoxycarbonylpiperidin-1-yl)sulfonylpropanoic acid
CID 43648308
(2R)-1-(3-methylbutylsulfonyl)pyrrolidine-2-carboxylic acid
CID 78952354
1-(2-methoxypropylsulfonyl)piperidine-2-carboxylic acid
CID 122070213

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-ethoxyethylsulfonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-ethoxyethylsulfonyl)piperidine-2-carboxylic acid (CID 66263402) is (2S)-1-(2-ethoxyethylsulfonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-ethoxyethylsulfonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-ethoxyethylsulfonyl)piperidine-2-carboxylic acid is CCOCCS(=O)(=O)N1CCCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(2-ethoxyethylsulfonyl)piperidine-2-carboxylic acid?
The InChIKey is BNMOIBHJFSKBCN-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO5S/c1-2-16-7-8-17(14,15)11-6-4-3-5-9(11)10(12)13/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-1-(2-ethoxyethylsulfonyl)piperidine-2-carboxylic acid?
(2S)-1-(2-ethoxyethylsulfonyl)piperidine-2-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-ethoxyethylsulfonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 66263402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).