(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid

C9H18N2O5S — CID 104978646

IUPAC(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
SMILESCOCCNS(=O)(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C9H18N2O5S/c1-16-6-4-10-17(14,15)11-5-2-3-8(7-11)9(12)13/h8,10H,2-7H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyBMFIMLNRTBSWCM-QMMMGPOBSA-N
MW266.32 g/mol
LogP-0.74
Rot. Bonds6

About (3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid

(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid (PubChem CID 104978646) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is (3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
PubChem CID104978646
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Name(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
SMILESCOCCNS(=O)(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C9H18N2O5S/c1-16-6-4-10-17(14,15)11-5-2-3-8(7-11)9(12)13/h8,10H,2-7H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyBMFIMLNRTBSWCM-QMMMGPOBSA-N
XLogP-0.74
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-acetyl-N-(2-methoxyethyl)piperidine-1-sulfonamide
CID 114815332
1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104759129
1-(3-butoxypropylsulfamoyl)piperidine-3-carboxylic acid
CID 115596236
1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 113227859
1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid
CID 106334906
1-(2-methylsulfanylethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858603
1-(2-but-3-enoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 106395341
(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
CID 94063829
1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid
CID 54914300
1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858431
N-(2-methoxyethyl)azetidine-1-sulfonamide
CID 164583733
1-[(4-hydroxycyclohexyl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 106120655

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid (CID 104978646) is (3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid is COCCNS(=O)(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid?
The InChIKey is BMFIMLNRTBSWCM-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O5S/c1-16-6-4-10-17(14,15)11-5-2-3-8(7-11)9(12)13/h8,10H,2-7H2,1H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid?
(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid has a molecular weight of 266.32 g/mol, XLogP of -0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 104978646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).