4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid

C10H20N2O4S — CID 28783609

IUPAC4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
SMILESCC1CCN(S(=O)(=O)NCCCC(=O)O)CC1
InChIInChI=1S/C10H20N2O4S/c1-9-4-7-12(8-5-9)17(15,16)11-6-2-3-10(13)14/h9,11H,2-8H2,1H3,(H,13,14)
InChIKeyOKEPSYPHHSHJNC-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.42
Rot. Bonds6

About 4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid

4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid (PubChem CID 28783609) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
PubChem CID28783609
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
SMILESCC1CCN(S(=O)(=O)NCCCC(=O)O)CC1
InChIInChI=1S/C10H20N2O4S/c1-9-4-7-12(8-5-9)17(15,16)11-6-2-3-10(13)14/h9,11H,2-8H2,1H3,(H,13,14)
InChIKeyOKEPSYPHHSHJNC-UHFFFAOYSA-N
XLogP0.42
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid?
The IUPAC name of 4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid (CID 28783609) is 4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for 4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid?
The canonical SMILES for 4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid is CC1CCN(S(=O)(=O)NCCCC(=O)O)CC1.
What is the InChIKey of 4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid?
The InChIKey is OKEPSYPHHSHJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-9-4-7-12(8-5-9)17(15,16)11-6-2-3-10(13)14/h9,11H,2-8H2,1H3,(H,13,14).
What are the key properties of 4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid?
4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid has a molecular weight of 264.35 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 28783609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).