3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoic acid

C9H18N2O4S — CID 43210773

IUPAC3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoic acid
SMILESCC1CCCN(S(=O)(=O)NCCC(=O)O)C1
InChIInChI=1S/C9H18N2O4S/c1-8-3-2-6-11(7-8)16(14,15)10-5-4-9(12)13/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyKUBGWUGAJOWYQF-UHFFFAOYSA-N
MW250.32 g/mol
LogP0.03
Rot. Bonds5

About 3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoic acid

3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoic acid (PubChem CID 43210773) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoic acid
PubChem CID43210773
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoic acid
SMILESCC1CCCN(S(=O)(=O)NCCC(=O)O)C1
InChIInChI=1S/C9H18N2O4S/c1-8-3-2-6-11(7-8)16(14,15)10-5-4-9(12)13/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyKUBGWUGAJOWYQF-UHFFFAOYSA-N
XLogP0.03
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoic acid (CID 43210773) is 3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoic acid is CC1CCCN(S(=O)(=O)NCCC(=O)O)C1.
What is the InChIKey of 3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoic acid?
The InChIKey is KUBGWUGAJOWYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-8-3-2-6-11(7-8)16(14,15)10-5-4-9(12)13/h8,10H,2-7H2,1H3,(H,12,13).
What are the key properties of 3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoic acid?
3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoic acid has a molecular weight of 250.32 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 43210773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).